N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide

C19H15ClN4O — CID 55993679

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cc(Cl)ccc3-n3cccn3)[nH]c2c1
InChIInChI=1S/C19H15ClN4O/c1-12-3-4-13-10-17(22-15(13)9-12)19(25)23-16-11-14(20)5-6-18(16)24-8-2-7-21-24/h2-11,22H,1H3,(H,23,25)
InChIKeyJGSJSHPSGVIXOP-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.57
Rot. Bonds3

About N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 55993679) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID55993679
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cc(Cl)ccc3-n3cccn3)[nH]c2c1
InChIInChI=1S/C19H15ClN4O/c1-12-3-4-13-10-17(22-15(13)9-12)19(25)23-16-11-14(20)5-6-18(16)24-8-2-7-21-24/h2-11,22H,1H3,(H,23,25)
InChIKeyJGSJSHPSGVIXOP-UHFFFAOYSA-N
XLogP4.57
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793172
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55807359
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide (CID 55993679) is N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3cc(Cl)ccc3-n3cccn3)[nH]c2c1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is JGSJSHPSGVIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-3-4-13-10-17(22-15(13)9-12)19(25)23-16-11-14(20)5-6-18(16)24-8-2-7-21-24/h2-11,22H,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55993679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).