2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H13N3O — CID 60736201

IUPAC2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-11(9)12(16)13-6-10-7-14-15-8-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyZBYGSQLNPSTREL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 60736201) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID60736201
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-11(9)12(16)13-6-10-7-14-15-8-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyZBYGSQLNPSTREL-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 60736201) is 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1ccccc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is ZBYGSQLNPSTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-4-2-3-5-11(9)12(16)13-6-10-7-14-15-8-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 60736201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).