2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

C17H22ClF2N5O — CID 19526842

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C17H22ClF2N5O/c1-10-8-11(2)24(22-10)7-3-6-21-13(26)9-25-16(12-4-5-12)14(18)15(23-25)17(19)20/h8,12,17H,3-7,9H2,1-2H3,(H,21,26)
InChIKeyCVUIJRJPHVQVEJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.37
Rot. Bonds8

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 19526842) has the molecular formula C17H22ClF2N5O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID19526842
Molecular FormulaC17H22ClF2N5O
Molecular Weight385.85 g/mol
Exact Mass385.15
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C17H22ClF2N5O/c1-10-8-11(2)24(22-10)7-3-6-21-13(26)9-25-16(12-4-5-12)14(18)15(23-25)17(19)20/h8,12,17H,3-7,9H2,1-2H3,(H,21,26)
InChIKeyCVUIJRJPHVQVEJ-UHFFFAOYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 19526798
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19517540
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19524093
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19526692
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
CID 19324203
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519490
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530287
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294628
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 19526769
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19517448
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 19526842) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is Cc1cc(C)n(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is CVUIJRJPHVQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF2N5O/c1-10-8-11(2)24(22-10)7-3-6-21-13(26)9-25-16(12-4-5-12)14(18)15(23-25)17(19)20/h8,12,17H,3-7,9H2,1-2H3,(H,21,26).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19526842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).