5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide

C18H13ClN4O — CID 162649972

IUPAC5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H13ClN4O/c19-12-5-6-15-13(9-12)16(17(22-15)18(20)24)11-3-1-10(2-4-11)14-7-8-21-23-14/h1-9,22H,(H2,20,24)(H,21,23)
InChIKeyQZPWZBBASHQMCS-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide

5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 162649972) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID162649972
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H13ClN4O/c19-12-5-6-15-13(9-12)16(17(22-15)18(20)24)11-3-1-10(2-4-11)14-7-8-21-23-14/h1-9,22H,(H2,20,24)(H,21,23)
InChIKeyQZPWZBBASHQMCS-UHFFFAOYSA-N
XLogP3.98
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide (CID 162649972) is 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is QZPWZBBASHQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-12-5-6-15-13(9-12)16(17(22-15)18(20)24)11-3-1-10(2-4-11)14-7-8-21-23-14/h1-9,22H,(H2,20,24)(H,21,23).
What are the key properties of 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 162649972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).