N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide

C15H14N4O — CID 110480979

IUPACN-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc[nH]3)c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-12(9-17-19)11-4-2-5-13(8-11)18-15(20)14-6-3-7-16-14/h2-10,16H,1H3,(H,18,20)
InChIKeyFALHDBGVWHMHCQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.67
Rot. Bonds3

About N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide

N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 110480979) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID110480979
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc[nH]3)c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-12(9-17-19)11-4-2-5-13(8-11)18-15(20)14-6-3-7-16-14/h2-10,16H,1H3,(H,18,20)
InChIKeyFALHDBGVWHMHCQ-UHFFFAOYSA-N
XLogP2.67
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167899065
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 110480979) is N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide is Cn1cc(-c2cccc(NC(=O)c3ccc[nH]3)c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FALHDBGVWHMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-10-12(9-17-19)11-4-2-5-13(8-11)18-15(20)14-6-3-7-16-14/h2-10,16H,1H3,(H,18,20).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110480979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).