N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide

C15H14N4O — CID 47255659

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(-n3cccc3)cc2)n[nH]1
InChIInChI=1S/C15H14N4O/c1-11-10-14(18-17-11)16-15(20)12-4-6-13(7-5-12)19-8-2-3-9-19/h2-10H,1H3,(H2,16,17,18,20)
InChIKeyRGTRJRPTRMMLMC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.76
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide

N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 47255659) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
PubChem CID47255659
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(-n3cccc3)cc2)n[nH]1
InChIInChI=1S/C15H14N4O/c1-11-10-14(18-17-11)16-15(20)12-4-6-13(7-5-12)19-8-2-3-9-19/h2-10H,1H3,(H2,16,17,18,20)
InChIKeyRGTRJRPTRMMLMC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745870
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 82330985
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
N-(5-methyl-1H-pyrazol-3-yl)pyridazine-4-carboxamide
CID 115736164
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide (CID 47255659) is N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide is Cc1cc(NC(=O)c2ccc(-n3cccc3)cc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is RGTRJRPTRMMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-10-14(18-17-11)16-15(20)12-4-6-13(7-5-12)19-8-2-3-9-19/h2-10H,1H3,(H2,16,17,18,20).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 47255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).