4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide

C19H18N4O2 — CID 110664717

IUPAC4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)21-16-10-8-15(9-11-16)19(25)22-17-12-20-23(2)18(17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,22,25)
InChIKeyGJJVWFBBVHISFR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.30
Rot. Bonds4

About 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide

4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide (PubChem CID 110664717) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
PubChem CID110664717
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)21-16-10-8-15(9-11-16)19(25)22-17-12-20-23(2)18(17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,22,25)
InChIKeyGJJVWFBBVHISFR-UHFFFAOYSA-N
XLogP3.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide
CID 110664720
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
N-(4-phenylphenyl)acetamide
CID 19998
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide (CID 110664717) is 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)cc1.
What is the InChIKey of 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The InChIKey is GJJVWFBBVHISFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(24)21-16-10-8-15(9-11-16)19(25)22-17-12-20-23(2)18(17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110664717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).