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

C12H13N3O — CID 60736168

IUPAC4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)12(16)13-6-10-7-14-15-8-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyVZIHGBOFJYNAAL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

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

4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 60736168) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID60736168
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)12(16)13-6-10-7-14-15-8-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyVZIHGBOFJYNAAL-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

4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
4-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982374
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 60736168) is 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is VZIHGBOFJYNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-4-11(5-3-9)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 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-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 4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 60736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).