N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide

C120H160Cl3F3N22O10S3 — CID 157440923

IUPACN-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESC=S(C)(=O)N1CCC(CCN(Cc2ccccc2F)C(=O)c2cc(C)[nH]n2)CC1.C=S1(=O)CCC(CCN(Cc2cc(N)ccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.CNC1CCC(CCN(Cc2ccccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.Cc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1.Cc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cccc(C)c2Cl)n[nH]1.Cc1cc(C(=O)N(Cc2ccccc2F)CC2CCN(C)CC2)n[nH]1
InChIInChI=1S/C21H29ClN4O.C21H29FN4O2S.C20H27ClN4O2S.C20H26FN3O.C19H24ClN3O3S.C19H25FN4O/c1-15-13-20(25-24-15)21(27)26(14-17-5-3-4-6-19(17)22)12-11-16-7-9-18(23-2)10-8-16;1-16-14-20(24-23-16)21(27)25(15-18-6-4-5-7-19(18)22)11-8-17-9-12-26(13-10-17)29(2,3)28;1-14-11-19(24-23-14)20(26)25(13-16-12-17(22)3-4-18(16)21)8-5-15-6-9-28(2,27)10-7-15;1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21;1-13-4-3-5-16(18(13)20)11-23(19(24)17-10-14(2)21-22-17)8-6-15-7-9-27(25,26)12-15;1-14-11-18(22-21-14)19(25)24(12-15-7-9-23(2)10-8-15)13-16-5-3-4-6-17(16)20/h3-6,13,16,18,23H,7-12,14H2,1-2H3,(H,24,25);4-7,14,17H,2,8-13,15H2,1,3H3,(H,23,24);3-4,11-12,15H,2,5-10,13,22H2,1H3,(H,23,24);5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23);3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,22);3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,22)
InChIKeyBRQUQEUQPRZPII-UHFFFAOYSA-N
MW2330.30 g/mol
LogP20.62
Rot. Bonds37

About N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide

N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 157440923) has the molecular formula C120H160Cl3F3N22O10S3 and a molecular weight of 2330.30 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID157440923
Molecular FormulaC120H160Cl3F3N22O10S3
Molecular Weight2330.30 g/mol
Exact Mass2327.09
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESC=S(C)(=O)N1CCC(CCN(Cc2ccccc2F)C(=O)c2cc(C)[nH]n2)CC1.C=S1(=O)CCC(CCN(Cc2cc(N)ccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.CNC1CCC(CCN(Cc2ccccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.Cc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1.Cc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cccc(C)c2Cl)n[nH]1.Cc1cc(C(=O)N(Cc2ccccc2F)CC2CCN(C)CC2)n[nH]1
InChIInChI=1S/C21H29ClN4O.C21H29FN4O2S.C20H27ClN4O2S.C20H26FN3O.C19H24ClN3O3S.C19H25FN4O/c1-15-13-20(25-24-15)21(27)26(14-17-5-3-4-6-19(17)22)12-11-16-7-9-18(23-2)10-8-16;1-16-14-20(24-23-16)21(27)25(15-18-6-4-5-7-19(18)22)11-8-17-9-12-26(13-10-17)29(2,3)28;1-14-11-19(24-23-14)20(26)25(13-16-12-17(22)3-4-18(16)21)8-5-15-6-9-28(2,27)10-7-15;1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21;1-13-4-3-5-16(18(13)20)11-23(19(24)17-10-14(2)21-22-17)8-6-15-7-9-27(25,26)12-15;1-14-11-18(22-21-14)19(25)24(12-15-7-9-23(2)10-8-15)13-16-5-3-4-6-17(16)20/h3-6,13,16,18,23H,7-12,14H2,1-2H3,(H,24,25);4-7,14,17H,2,8-13,15H2,1,3H3,(H,23,24);3-4,11-12,15H,2,5-10,13,22H2,1H3,(H,23,24);5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23);3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,22);3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,22)
InChIKeyBRQUQEUQPRZPII-UHFFFAOYSA-N
XLogP20.62
TPSA406.75 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002330.30
LogP ≤ 520.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
N-[(3-aminophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2,3-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 159988382
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 118552811
tert-butyl 4-[[cyclobutylmethyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 118552863
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenyl] (2R)-2-amino-2-methylbutanoate
CID 161358642
N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-5-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118552891
5-chloro-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 73212663
[4-[[(5-chloro-1H-pyrazole-3-carbonyl)-(cyclobutylmethyl)amino]methyl]-3-fluorophenoxy]-methylphosphinic acid
CID 118552865
N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120738
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
N-[(2-chloro-3-nitrophenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-(trifluoromethyl)-2H-pyrrole-3-carboxamide
CID 157094610

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 157440923) is N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide is C=S(C)(=O)N1CCC(CCN(Cc2ccccc2F)C(=O)c2cc(C)[nH]n2)CC1.C=S1(=O)CCC(CCN(Cc2cc(N)ccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.CNC1CCC(CCN(Cc2ccccc2Cl)C(=O)c2cc(C)[nH]n2)CC1.Cc1cc(C(=O)N(CCC2CCCCC2)Cc2ccccc2F)n[nH]1.Cc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cccc(C)c2Cl)n[nH]1.Cc1cc(C(=O)N(Cc2ccccc2F)CC2CCN(C)CC2)n[nH]1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BRQUQEUQPRZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O.C21H29FN4O2S.C20H27ClN4O2S.C20H26FN3O.C19H24ClN3O3S.C19H25FN4O/c1-15-13-20(25-24-15)21(27)26(14-17-5-3-4-6-19(17)22)12-11-16-7-9-18(23-2)10-8-16;1-16-14-20(24-23-16)21(27)25(15-18-6-4-5-7-19(18)22)11-8-17-9-12-26(13-10-17)29(2,3)28;1-14-11-19(24-23-14)20(26)25(13-16-12-17(22)3-4-18(16)21)8-5-15-6-9-28(2,27)10-7-15;1-15-13-19(23-22-15)20(25)24(12-11-16-7-3-2-4-8-16)14-17-9-5-6-10-18(17)21;1-13-4-3-5-16(18(13)20)11-23(19(24)17-10-14(2)21-22-17)8-6-15-7-9-27(25,26)12-15;1-14-11-18(22-21-14)19(25)24(12-15-7-9-23(2)10-8-15)13-16-5-3-4-6-17(16)20/h3-6,13,16,18,23H,7-12,14H2,1-2H3,(H,24,25);4-7,14,17H,2,8-13,15H2,1,3H3,(H,23,24);3-4,11-12,15H,2,5-10,13,22H2,1H3,(H,23,24);5-6,9-10,13,16H,2-4,7-8,11-12,14H2,1H3,(H,22,23);3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,22);3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 2330.30 g/mol, XLogP of 20.62, 37 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 157440923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).