N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide

C19H19N3O — CID 19346309

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C19H19N3O/c1-15-7-5-6-10-17(15)13-22-14-18(12-20-22)21-19(23)11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H,21,23)
InChIKeyAUJYCHTWSWYOOZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide (PubChem CID 19346309) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
PubChem CID19346309
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C19H19N3O/c1-15-7-5-6-10-17(15)13-22-14-18(12-20-22)21-19(23)11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H,21,23)
InChIKeyAUJYCHTWSWYOOZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
1-[2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502079
2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346302
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
CID 19346305
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide (CID 19346309) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide is Cc1ccccc1Cn1cc(NC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide?
The InChIKey is AUJYCHTWSWYOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-7-5-6-10-17(15)13-22-14-18(12-20-22)21-19(23)11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide has a molecular weight of 305.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 19346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).