4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide

C17H19ClN4O — CID 134703532

IUPAC4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide
SMILESCCC(CC)n1nccc1NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C17H19ClN4O/c1-3-11(4-2)22-16(8-9-19-22)21-17(23)15-10-12-13(18)6-5-7-14(12)20-15/h5-11,20H,3-4H2,1-2H3,(H,21,23)
InChIKeyQBFCGANURDYKGU-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.63
Rot. Bonds5

About 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide

4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide (PubChem CID 134703532) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide
PubChem CID134703532
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide
SMILESCCC(CC)n1nccc1NC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C17H19ClN4O/c1-3-11(4-2)22-16(8-9-19-22)21-17(23)15-10-12-13(18)6-5-7-14(12)20-15/h5-11,20H,3-4H2,1-2H3,(H,21,23)
InChIKeyQBFCGANURDYKGU-UHFFFAOYSA-N
XLogP4.63
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide (CID 134703532) is 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide is CCC(CC)n1nccc1NC(=O)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide?
The InChIKey is QBFCGANURDYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-3-11(4-2)22-16(8-9-19-22)21-17(23)15-10-12-13(18)6-5-7-14(12)20-15/h5-11,20H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide?
4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pentan-3-ylpyrazol-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 134703532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).