N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide

C13H12N4O — CID 61003404

IUPACN-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H12N4O/c18-13(15-6-9-7-16-17-8-9)11-2-1-3-12-10(11)4-5-14-12/h1-5,7-8,14H,6H2,(H,15,18)(H,16,17)
InChIKeyYUAYCQFOORXJNK-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide

N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide (PubChem CID 61003404) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
PubChem CID61003404
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H12N4O/c18-13(15-6-9-7-16-17-8-9)11-2-1-3-12-10(11)4-5-14-12/h1-5,7-8,14H,6H2,(H,15,18)(H,16,17)
InChIKeyYUAYCQFOORXJNK-UHFFFAOYSA-N
XLogP1.82
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
1H-indole-4-carbohydrazide
CID 43316644
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
CID 54899979

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide (CID 61003404) is N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide is O=C(NCc1cn[nH]c1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide?
The InChIKey is YUAYCQFOORXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(15-6-9-7-16-17-8-9)11-2-1-3-12-10(11)4-5-14-12/h1-5,7-8,14H,6H2,(H,15,18)(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 61003404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).