3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole

C14H17F5N2 — CID 175828677

IUPAC3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC1(F)CCC(Cn2cc(C(F)(F)F)c(C3CC3)n2)CC1
InChIInChI=1S/C14H17F5N2/c15-13(16)5-3-9(4-6-13)7-21-8-11(14(17,18)19)12(20-21)10-1-2-10/h8-10H,1-7H2
InChIKeyFGTGUXBKMOBWLN-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.60
Rot. Bonds3

About 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole

3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole (PubChem CID 175828677) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
PubChem CID175828677
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC1(F)CCC(Cn2cc(C(F)(F)F)c(C3CC3)n2)CC1
InChIInChI=1S/C14H17F5N2/c15-13(16)5-3-9(4-6-13)7-21-8-11(14(17,18)19)12(20-21)10-1-2-10/h8-10H,1-7H2
InChIKeyFGTGUXBKMOBWLN-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole (CID 175828677) is 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole is FC1(F)CCC(Cn2cc(C(F)(F)F)c(C3CC3)n2)CC1.
What is the InChIKey of 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The InChIKey is FGTGUXBKMOBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c15-13(16)5-3-9(4-6-13)7-21-8-11(14(17,18)19)12(20-21)10-1-2-10/h8-10H,1-7H2.
What are the key properties of 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole has a molecular weight of 308.29 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175828677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).