2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide

C12H14ClF2N5O — CID 4771819

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCc1c(Cl)c(C(F)F)nn1C(C)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14ClF2N5O/c1-6-9(13)10(11(14)15)18-20(6)7(2)12(21)16-8-4-5-19(3)17-8/h4-5,7,11H,1-3H3,(H,16,17,21)
InChIKeyZQBXURXNWPDOKA-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 4771819) has the molecular formula C12H14ClF2N5O and a molecular weight of 317.73 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID4771819
Molecular FormulaC12H14ClF2N5O
Molecular Weight317.73 g/mol
Exact Mass317.09
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCc1c(Cl)c(C(F)F)nn1C(C)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H14ClF2N5O/c1-6-9(13)10(11(14)15)18-20(6)7(2)12(21)16-8-4-5-19(3)17-8/h4-5,7,11H,1-3H3,(H,16,17,21)
InChIKeyZQBXURXNWPDOKA-UHFFFAOYSA-N
XLogP2.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(2,6-dichlorophenyl)propanamide
CID 19535671
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
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-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
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-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide (CID 4771819) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide is Cc1c(Cl)c(C(F)F)nn1C(C)C(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is ZQBXURXNWPDOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N5O/c1-6-9(13)10(11(14)15)18-20(6)7(2)12(21)16-8-4-5-19(3)17-8/h4-5,7,11H,1-3H3,(H,16,17,21).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 317.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 4771819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).