N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

C20H29N3O — CID 42686204

IUPACN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H29N3O/c1-7-8-16-19(21-17(24)12-20(4,5)6)18(23-22-16)15-10-9-13(2)11-14(15)3/h9-11H,7-8,12H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBXLKFDCYISAFQX-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.02
Rot. Bonds5

About N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (PubChem CID 42686204) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
PubChem CID42686204
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H29N3O/c1-7-8-16-19(21-17(24)12-20(4,5)6)18(23-22-16)15-10-9-13(2)11-14(15)3/h9-11H,7-8,12H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBXLKFDCYISAFQX-UHFFFAOYSA-N
XLogP5.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (CID 42686204) is N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The InChIKey is BXLKFDCYISAFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-8-16-19(21-17(24)12-20(4,5)6)18(23-22-16)15-10-9-13(2)11-14(15)3/h9-11H,7-8,12H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide has a molecular weight of 327.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42686204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).