N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C15H20F5N3O — CID 175395412

IUPACN-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1nn(CCC(F)(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F5N3O/c1-9-12(10(2)23(22-9)8-7-15(18,19)20)13(24)21-11-3-5-14(16,17)6-4-11/h11H,3-8H2,1-2H3,(H,21,24)
InChIKeyBXPADTVSZDKSPD-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.76
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 175395412) has the molecular formula C15H20F5N3O and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID175395412
Molecular FormulaC15H20F5N3O
Molecular Weight353.34 g/mol
Exact Mass353.15
IUPAC NameN-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1nn(CCC(F)(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F5N3O/c1-9-12(10(2)23(22-9)8-7-15(18,19)20)13(24)21-11-3-5-14(16,17)6-4-11/h11H,3-8H2,1-2H3,(H,21,24)
InChIKeyBXPADTVSZDKSPD-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 175395412) is N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is Cc1nn(CCC(F)(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is BXPADTVSZDKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5N3O/c1-9-12(10(2)23(22-9)8-7-15(18,19)20)13(24)21-11-3-5-14(16,17)6-4-11/h11H,3-8H2,1-2H3,(H,21,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175395412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).