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

C20H19ClF5N5O — CID 19535789

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C20H19ClF5N5O/c1-9-15(10(2)30(28-9)8-12-6-4-5-7-13(12)22)27-20(32)11(3)31-17(19(25)26)14(21)16(29-31)18(23)24/h4-7,11,18-19H,8H2,1-3H3,(H,27,32)
InChIKeyVFSBEKRTILPTHS-UHFFFAOYSA-N
MW475.85 g/mol
LogP5.61
Rot. Bonds7

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

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 19535789) has the molecular formula C20H19ClF5N5O and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID19535789
Molecular FormulaC20H19ClF5N5O
Molecular Weight475.85 g/mol
Exact Mass475.12
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C20H19ClF5N5O/c1-9-15(10(2)30(28-9)8-12-6-4-5-7-13(12)22)27-20(32)11(3)31-17(19(25)26)14(21)16(29-31)18(23)24/h4-7,11,18-19H,8H2,1-3H3,(H,27,32)
InChIKeyVFSBEKRTILPTHS-UHFFFAOYSA-N
XLogP5.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.85
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19538527
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535845
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
(2S)-2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51390032
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
CID 19535723
1-cyclohexyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17383040
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555850

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 19535789) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is VFSBEKRTILPTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF5N5O/c1-9-15(10(2)30(28-9)8-12-6-4-5-7-13(12)22)27-20(32)11(3)31-17(19(25)26)14(21)16(29-31)18(23)24/h4-7,11,18-19H,8H2,1-3H3,(H,27,32).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 475.85 g/mol, XLogP of 5.61, 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-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 19535789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).