N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine

C12H18F3N3 — CID 62565057

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine
SMILESFC(F)(F)c1ccn(CCNC2CCCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-8-18(17-11)9-7-16-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2
InChIKeyJBISMSALLJTABR-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.82
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine (PubChem CID 62565057) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine
PubChem CID62565057
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine
SMILESFC(F)(F)c1ccn(CCNC2CCCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-8-18(17-11)9-7-16-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2
InChIKeyJBISMSALLJTABR-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine (CID 62565057) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine is FC(F)(F)c1ccn(CCNC2CCCCC2)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine?
The InChIKey is JBISMSALLJTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)11-6-8-18(17-11)9-7-16-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine has a molecular weight of 261.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohexanamine is sourced from PubChem (CID 62565057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).