3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

C20H17ClN4O — CID 55909509

IUPAC3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H17ClN4O/c21-18-16-4-1-2-5-17(16)24-19(18)20(26)22-12-14-6-8-15(9-7-14)13-25-11-3-10-23-25/h1-11,24H,12-13H2,(H,22,26)
InChIKeyVCPGXCZINOMOEH-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.00
Rot. Bonds5

About 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 55909509) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID55909509
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C20H17ClN4O/c21-18-16-4-1-2-5-17(16)24-19(18)20(26)22-12-14-6-8-15(9-7-14)13-25-11-3-10-23-25/h1-11,24H,12-13H2,(H,22,26)
InChIKeyVCPGXCZINOMOEH-UHFFFAOYSA-N
XLogP4.00
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 47799450
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 51090722
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 25403898
3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55968094
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16573030
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
2-(2-methyl-1H-indol-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31986763
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 55909509) is 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(Cn2cccn2)cc1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is VCPGXCZINOMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-18-16-4-1-2-5-17(16)24-19(18)20(26)22-12-14-6-8-15(9-7-14)13-25-11-3-10-23-25/h1-11,24H,12-13H2,(H,22,26).
What are the key properties of 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 364.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55909509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).