N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide

C17H22ClN3O — CID 42874047

IUPACN-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCC(C)Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C17H22ClN3O/c1-10(2)9-14-16(19-17(22)11(3)4)15(21-20-14)12-5-7-13(18)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBRPUSMYCSBLIRF-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.52
Rot. Bonds5

About N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide

N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42874047) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42874047
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCC(C)Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C17H22ClN3O/c1-10(2)9-14-16(19-17(22)11(3)4)15(21-20-14)12-5-7-13(18)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBRPUSMYCSBLIRF-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685984
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42873998
N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 42687612
(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005194
2-[4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl]acetic acid
CID 84611223

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42874047) is N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide is CC(C)Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C(C)C.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is BRPUSMYCSBLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-10(2)9-14-16(19-17(22)11(3)4)15(21-20-14)12-5-7-13(18)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 319.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42874047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).