1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide

C14H13N5O — CID 52575128

IUPAC1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cccn1Cc1ccccc1
InChIInChI=1S/C14H13N5O/c20-13(17-14-15-10-16-18-14)12-7-4-8-19(12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,16,17,18,20)
InChIKeyMUXZWYUQQWWJLT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.91
Rot. Bonds4

About 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide

1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide (PubChem CID 52575128) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
PubChem CID52575128
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cccn1Cc1ccccc1
InChIInChI=1S/C14H13N5O/c20-13(17-14-15-10-16-18-14)12-7-4-8-19(12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,16,17,18,20)
InChIKeyMUXZWYUQQWWJLT-UHFFFAOYSA-N
XLogP1.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
CID 130175298
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47390330
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
N'-(1-benzylpyrrole-2-carbonyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 55560641
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide (CID 52575128) is 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide is O=C(Nc1ncn[nH]1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is MUXZWYUQQWWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-13(17-14-15-10-16-18-14)12-7-4-8-19(12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,16,17,18,20).
What are the key properties of 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 52575128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).