4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide

C12H15N5O2 — CID 51107571

IUPAC4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C12H15N5O2/c1-6(2)10-14-12(17-16-10)15-11(19)9-4-8(5-13-9)7(3)18/h4-6,13H,1-3H3,(H2,14,15,16,17,19)
InChIKeyYNTDPYPSBYUSJB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.71
Rot. Bonds4

About 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 51107571) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID51107571
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C12H15N5O2/c1-6(2)10-14-12(17-16-10)15-11(19)9-4-8(5-13-9)7(3)18/h4-6,13H,1-3H3,(H2,14,15,16,17,19)
InChIKeyYNTDPYPSBYUSJB-UHFFFAOYSA-N
XLogP1.71
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-4-propionyl-1H-pyrrole-2-carboxamide
CID 3628216
4-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 45824750
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 71827884
4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 31265446
N-(5-Isobutyl-4H-1,2,4-triazol-3-YL)-2-pyridinecarboxamide
CID 71946773
1-[1-methyl-5-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
CID 99937581
4-cyano-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]-1H-pyrrole-2-carboxamide
CID 136535076
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 164637470
4-acetyl-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 35842074
4-acetyl-3,5-dimethyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrrole-2-carboxamide
CID 43051673
5-(pyrrolidine-1-carbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrrole-3-carboxamide
CID 47053197
4-acetyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 47076939

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide (CID 51107571) is 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2n[nH]c(C(C)C)n2)c1.
What is the InChIKey of 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is YNTDPYPSBYUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6(2)10-14-12(17-16-10)15-11(19)9-4-8(5-13-9)7(3)18/h4-6,13H,1-3H3,(H2,14,15,16,17,19).
What are the key properties of 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51107571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).