5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

C11H16F3N3 — CID 64754278

IUPAC5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCc1cc(N)n(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N3/c1-7-6-10(15)17(16-7)9-4-2-8(3-5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3
InChIKeyPCQATBJPHIKMGR-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.07
Rot. Bonds1

About 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (PubChem CID 64754278) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
PubChem CID64754278
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCc1cc(N)n(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N3/c1-7-6-10(15)17(16-7)9-4-2-8(3-5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3
InChIKeyPCQATBJPHIKMGR-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (CID 64754278) is 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is Cc1cc(N)n(C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The InChIKey is PCQATBJPHIKMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-6-10(15)17(16-7)9-4-2-8(3-5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 64754278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).