N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

C12H16F3N3O — CID 175360879

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C12H16F3N3O/c1-6(2)18(7-4-5-7)12(19)8-9(10(13)14)16-17(3)11(8)15/h6-7,10H,4-5H2,1-3H3
InChIKeyARTAJKWEKJWSTL-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.51
Rot. Bonds4

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 175360879) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID175360879
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C12H16F3N3O/c1-6(2)18(7-4-5-7)12(19)8-9(10(13)14)16-17(3)11(8)15/h6-7,10H,4-5H2,1-3H3
InChIKeyARTAJKWEKJWSTL-UHFFFAOYSA-N
XLogP2.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 175360879) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ARTAJKWEKJWSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-6(2)18(7-4-5-7)12(19)8-9(10(13)14)16-17(3)11(8)15/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 175360879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).