N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide

C17H21N3O — CID 2818867

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)16(21)18-15-11-14(12-9-10-12)19-20(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)
InChIKeyCGVUXCGZYDIMGO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.73
Rot. Bonds3

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 2818867) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide
PubChem CID2818867
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)16(21)18-15-11-14(12-9-10-12)19-20(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)
InChIKeyCGVUXCGZYDIMGO-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ML297
CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
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2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
Difenamizole
CID 65695
2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)acetamide
CID 2369606
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 2453580
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide (CID 2818867) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is CGVUXCGZYDIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)16(21)18-15-11-14(12-9-10-12)19-20(15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2818867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).