N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H20F3N3 — CID 115761677

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1nccc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c1-2-19-12(6-7-18-19)9-17-11-5-3-4-10(8-11)13(14,15)16/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyQDEHEUMLCNLEED-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.11
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115761677) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115761677
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCn1nccc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c1-2-19-12(6-7-18-19)9-17-11-5-3-4-10(8-11)13(14,15)16/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyQDEHEUMLCNLEED-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
[(2-ethylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307255
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 104586979
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759430
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 115761677) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is CCn1nccc1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QDEHEUMLCNLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-2-19-12(6-7-18-19)9-17-11-5-3-4-10(8-11)13(14,15)16/h6-7,10-11,17H,2-5,8-9H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115761677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).