1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C15H20F3N3O — CID 56786527

IUPAC1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(C2CCCCC2)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-20(12-6-7-12)14(22)11-8-19-21(9-11)13-4-2-1-3-5-13/h8-9,12-13H,1-7,10H2
InChIKeyMGLSBSMDVSHVJP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.56
Rot. Bonds4

About 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 56786527) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID56786527
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(C2CCCCC2)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-20(12-6-7-12)14(22)11-8-19-21(9-11)13-4-2-1-3-5-13/h8-9,12-13H,1-7,10H2
InChIKeyMGLSBSMDVSHVJP-UHFFFAOYSA-N
XLogP3.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 56786527) is 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(c1cnn(C2CCCCC2)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is MGLSBSMDVSHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)10-20(12-6-7-12)14(22)11-8-19-21(9-11)13-4-2-1-3-5-13/h8-9,12-13H,1-7,10H2.
What are the key properties of 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).