3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C19H19F3N4O — CID 59504839

IUPAC3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C19H19F3N4O/c1-11(2)26-17(18(27)24-10-19(20,21)22)15(13-7-8-13)16(25-26)14-5-3-12(9-23)4-6-14/h3-6,11,13H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyOACGSIMESQKOCL-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 59504839) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID59504839
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C19H19F3N4O/c1-11(2)26-17(18(27)24-10-19(20,21)22)15(13-7-8-13)16(25-26)14-5-3-12(9-23)4-6-14/h3-6,11,13H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyOACGSIMESQKOCL-UHFFFAOYSA-N
XLogP4.17
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 59504839) is 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is OACGSIMESQKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-11(2)26-17(18(27)24-10-19(20,21)22)15(13-7-8-13)16(25-26)14-5-3-12(9-23)4-6-14/h3-6,11,13H,7-8,10H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59504839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).