3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide

C19H15ClN4O — CID 86207186

IUPAC3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H15ClN4O/c1-24-18(11-17(23-24)14-4-2-3-5-15(14)20)19(25)22-13-7-6-12-8-9-21-16(12)10-13/h2-11,21H,1H3,(H,22,25)
InChIKeyVBYWLIUEBZQWMP-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.47
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 86207186) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide
PubChem CID86207186
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H15ClN4O/c1-24-18(11-17(23-24)14-4-2-3-5-15(14)20)19(25)22-13-7-6-12-8-9-21-16(12)10-13/h2-11,21H,1H3,(H,22,25)
InChIKeyVBYWLIUEBZQWMP-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide (CID 86207186) is 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VBYWLIUEBZQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-24-18(11-17(23-24)14-4-2-3-5-15(14)20)19(25)22-13-7-6-12-8-9-21-16(12)10-13/h2-11,21H,1H3,(H,22,25).
What are the key properties of 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86207186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).