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

C13H16ClF2N5O — CID 4770830

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C)cnn1C
InChIInChI=1S/C13H16ClF2N5O/c1-6-9(5-17-20(6)4)18-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,18,22)
InChIKeyVOOBPJCSDUNKOZ-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.02
Rot. Bonds4

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 4770830) has the molecular formula C13H16ClF2N5O and a molecular weight of 331.75 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
PubChem CID4770830
Molecular FormulaC13H16ClF2N5O
Molecular Weight331.75 g/mol
Exact Mass331.10
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C)cnn1C
InChIInChI=1S/C13H16ClF2N5O/c1-6-9(5-17-20(6)4)18-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,18,22)
InChIKeyVOOBPJCSDUNKOZ-UHFFFAOYSA-N
XLogP3.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide (CID 4770830) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide is Cc1c(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C)cnn1C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is VOOBPJCSDUNKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N5O/c1-6-9(5-17-20(6)4)18-13(22)8(3)21-7(2)10(14)11(19-21)12(15)16/h5,8,12H,1-4H3,(H,18,22).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 331.75 g/mol, XLogP of 3.02, 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-(1,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 4770830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).