2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide

C15H14N4O — CID 90414813

IUPAC2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccc(-c3cn[nH]c3)c2)cc1C(N)=O
InChIInChI=1S/C15H14N4O/c1-9-13(15(16)20)6-14(19-9)11-4-2-3-10(5-11)12-7-17-18-8-12/h2-8,19H,1H3,(H2,16,20)(H,17,18)
InChIKeyNVWUMXJDCSUEDP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide

2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 90414813) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID90414813
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cccc(-c3cn[nH]c3)c2)cc1C(N)=O
InChIInChI=1S/C15H14N4O/c1-9-13(15(16)20)6-14(19-9)11-4-2-3-10(5-11)12-7-17-18-8-12/h2-8,19H,1H3,(H2,16,20)(H,17,18)
InChIKeyNVWUMXJDCSUEDP-UHFFFAOYSA-N
XLogP2.48
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide (CID 90414813) is 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cccc(-c3cn[nH]c3)c2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is NVWUMXJDCSUEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-13(15(16)20)6-14(19-9)11-4-2-3-10(5-11)12-7-17-18-8-12/h2-8,19H,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide?
2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90414813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).