N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide

C14H17N3O — CID 19294306

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)nn2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-12(7-5-10)14(18)15-9-13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyRYAQQGRXBVHPJE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide (PubChem CID 19294306) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
PubChem CID19294306
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(C)nn2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-12(7-5-10)14(18)15-9-13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyRYAQQGRXBVHPJE-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239674
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
CID 70773821
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 138995501
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide (CID 19294306) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(C)nn2C)cc1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide?
The InChIKey is RYAQQGRXBVHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-6-12(7-5-10)14(18)15-9-13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 19294306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).