N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide

C23H24Cl2N4O — CID 173139707

IUPACN-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC(N)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C23H24Cl2N4O/c1-14-21(23(30)27-18-9-5-8-17(26)13-18)28-29(20-11-10-16(24)12-19(20)25)22(14)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,26H2,1H3,(H,27,30)
InChIKeyCSYBSBOIUCVZAP-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.15
Rot. Bonds4

About N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide

N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 173139707) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID173139707
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC NameN-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC(N)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C23H24Cl2N4O/c1-14-21(23(30)27-18-9-5-8-17(26)13-18)28-29(20-11-10-16(24)12-19(20)25)22(14)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,26H2,1H3,(H,27,30)
InChIKeyCSYBSBOIUCVZAP-UHFFFAOYSA-N
XLogP5.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-4-methyl-5-phenylpyrazole-3-carboxamide
CID 173139708
2-[3-[[1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carbonyl]amino]cyclohexyl]ethynylthallium;phosphane;sulfanide
CID 155621835
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
N-[(3R)-1-acetylpiperidin-3-yl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 57341511
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513
(3R)-N-tert-butyl-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxamide
CID 57341680
1-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-4-methyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 69231421
N-[[4-(aminomethyl)cyclohexyl]methyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 56665226
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylpyrazole-3-carboxamide
CID 91303111
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide (CID 173139707) is N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCC(N)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1.
What is the InChIKey of N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is CSYBSBOIUCVZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-14-21(23(30)27-18-9-5-8-17(26)13-18)28-29(20-11-10-16(24)12-19(20)25)22(14)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-18H,5,8-9,13,26H2,1H3,(H,27,30).
What are the key properties of N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide?
N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 443.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-1-(2,4-dichlorophenyl)-4-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 173139707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).