N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide

C18H18Cl2N4O2S — CID 24889272

IUPACN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide
SMILESC[C@@H](N)COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1-c1ccnn1C
InChIInChI=1S/C18H18Cl2N4O2S/c1-10(21)9-26-15-4-3-11(7-12(15)14-5-6-22-24(14)2)23-18(25)13-8-16(19)27-17(13)20/h3-8,10H,9,21H2,1-2H3,(H,23,25)/t10-/m1/s1
InChIKeyTZUVBDCQWXITDD-SNVBAGLBSA-N
MW425.34 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide

N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 24889272) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID24889272
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC NameN-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide
SMILESC[C@@H](N)COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1-c1ccnn1C
InChIInChI=1S/C18H18Cl2N4O2S/c1-10(21)9-26-15-4-3-11(7-12(15)14-5-6-22-24(14)2)23-18(25)13-8-16(19)27-17(13)20/h3-8,10H,9,21H2,1-2H3,(H,23,25)/t10-/m1/s1
InChIKeyTZUVBDCQWXITDD-SNVBAGLBSA-N
XLogP4.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide
CID 24890810
1-(4-chlorophenyl)-3-[4-[2-(4-ethylmorpholin-4-ium-4-yl)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 69387795
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928368
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline;N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 160777885
N-[4-(2-amino-2-methylpropoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
CID 66829318
4-[[4-(2-methylpropoxycarbonylamino)-2-(2-methylpyrazol-3-yl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 69150224
N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66927836
(2E)-N-[4-[(2S)-2-aminopropoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-2-prop-1-en-2-yloxyiminopropanamide
CID 143584154
3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide
CID 66927809
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide (CID 24889272) is N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide is C[C@@H](N)COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1-c1ccnn1C.
What is the InChIKey of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is TZUVBDCQWXITDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S/c1-10(21)9-26-15-4-3-11(7-12(15)14-5-6-22-24(14)2)23-18(25)13-8-16(19)27-17(13)20/h3-8,10H,9,21H2,1-2H3,(H,23,25)/t10-/m1/s1.
What are the key properties of N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide?
N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 425.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-aminopropoxy]-3-(2-methylpyrazol-3-yl)phenyl]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 24889272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).