1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide

C13H12N4O — CID 166206735

IUPAC1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cn[nH]c2)cc2ccccc21
InChIInChI=1S/C13H12N4O/c1-17-11-5-3-2-4-9(11)6-12(17)13(18)16-10-7-14-15-8-10/h2-8H,1H3,(H,14,15)(H,16,18)
InChIKeyHPVVJIZEDLOPQL-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.15
Rot. Bonds2

About 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide

1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide (PubChem CID 166206735) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
PubChem CID166206735
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cn[nH]c2)cc2ccccc21
InChIInChI=1S/C13H12N4O/c1-17-11-5-3-2-4-9(11)6-12(17)13(18)16-10-7-14-15-8-10/h2-8H,1H3,(H,14,15)(H,16,18)
InChIKeyHPVVJIZEDLOPQL-UHFFFAOYSA-N
XLogP2.15
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
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CID 47072560
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
CID 71709227
4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43540428
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
methyl 1-methylindole-2-carboperoxoate
CID 140791750
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide?
The IUPAC name of 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide (CID 166206735) is 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide is Cn1c(C(=O)Nc2cn[nH]c2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide?
The InChIKey is HPVVJIZEDLOPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-11-5-3-2-4-9(11)6-12(17)13(18)16-10-7-14-15-8-10/h2-8H,1H3,(H,14,15)(H,16,18).
What are the key properties of 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide?
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide is sourced from PubChem (CID 166206735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).