1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 64754656

IUPAC1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3/c1-2-18-8-10(7-17-18)11(16)5-3-9(4-6-11)12(13,14)15/h7-9H,2-6,16H2,1H3
InChIKeyBRURQDMJBPYYIG-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.81
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754656) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754656
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3/c1-2-18-8-10(7-17-18)11(16)5-3-9(4-6-11)12(13,14)15/h7-9H,2-6,16H2,1H3
InChIKeyBRURQDMJBPYYIG-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754656) is 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCn1cc(C2(N)CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BRURQDMJBPYYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-18-8-10(7-17-18)11(16)5-3-9(4-6-11)12(13,14)15/h7-9H,2-6,16H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).