2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide

C15H18ClF4N5O — CID 19535723

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1ncc(CNC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)c1C
InChIInChI=1S/C15H18ClF4N5O/c1-4-24-7(2)9(6-22-24)5-21-15(26)8(3)25-12(14(19)20)10(16)11(23-25)13(17)18/h6,8,13-14H,4-5H2,1-3H3,(H,21,26)
InChIKeyVTTQCUSWAFBPGO-UHFFFAOYSA-N
MW395.79 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 19535723) has the molecular formula C15H18ClF4N5O and a molecular weight of 395.79 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
PubChem CID19535723
Molecular FormulaC15H18ClF4N5O
Molecular Weight395.79 g/mol
Exact Mass395.11
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1ncc(CNC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)c1C
InChIInChI=1S/C15H18ClF4N5O/c1-4-24-7(2)9(6-22-24)5-21-15(26)8(3)25-12(14(19)20)10(16)11(23-25)13(17)18/h6,8,13-14H,4-5H2,1-3H3,(H,21,26)
InChIKeyVTTQCUSWAFBPGO-UHFFFAOYSA-N
XLogP3.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535926
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19535664
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
CID 19535889
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 19535918
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 19535701
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19535713
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide (CID 19535723) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide is CCn1ncc(CNC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)c1C.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is VTTQCUSWAFBPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF4N5O/c1-4-24-7(2)9(6-22-24)5-21-15(26)8(3)25-12(14(19)20)10(16)11(23-25)13(17)18/h6,8,13-14H,4-5H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 395.79 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19535723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).