2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide

C17H23N3O — CID 4170097

IUPAC2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
SMILESCC(C)n1cc(-c2ccccc2NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-12(2)20-11-13(10-18-20)14-8-6-7-9-15(14)19-16(21)17(3,4)5/h6-12H,1-5H3,(H,19,21)
InChIKeyMVNHEDQIOHFLTN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide

2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide (PubChem CID 4170097) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
PubChem CID4170097
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
SMILESCC(C)n1cc(-c2ccccc2NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-12(2)20-11-13(10-18-20)14-8-6-7-9-15(14)19-16(21)17(3,4)5/h6-12H,1-5H3,(H,19,21)
InChIKeyMVNHEDQIOHFLTN-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62902672
4-naphthalen-1-yl-1-propan-2-ylpyrazole
CID 97034287
2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 171364605
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
1-ethyl-3-[5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)phenyl]urea
CID 3415039

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide (CID 4170097) is 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide is CC(C)n1cc(-c2ccccc2NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide?
The InChIKey is MVNHEDQIOHFLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)20-11-13(10-18-20)14-8-6-7-9-15(14)19-16(21)17(3,4)5/h6-12H,1-5H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 4170097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).