N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

C12H19ClF3N3 — CID 56813955

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCc1[nH]ncc1CNC1CCCCC1C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N3.ClH/c1-8-9(7-17-18-8)6-16-11-5-3-2-4-10(11)12(13,14)15;/h7,10-11,16H,2-6H2,1H3,(H,17,18);1H
InChIKeyBKNCPJYJDYCPTQ-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.35
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (PubChem CID 56813955) has the molecular formula C12H19ClF3N3 and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
PubChem CID56813955
Molecular FormulaC12H19ClF3N3
Molecular Weight297.75 g/mol
Exact Mass297.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCc1[nH]ncc1CNC1CCCCC1C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N3.ClH/c1-8-9(7-17-18-8)6-16-11-5-3-2-4-10(11)12(13,14)15;/h7,10-11,16H,2-6H2,1H3,(H,17,18);1H
InChIKeyBKNCPJYJDYCPTQ-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 53506695
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43663560
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 53506694
N-[(5-methyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309755
(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
CID 93257810
(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 164636204
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 66441856
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
N-(2-methylpropyl)-N-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]piperidin-4-amine
CID 69063756
4-[3,3-difluoro-3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine
CID 70111335
N'-[[5-(4,4-difluorocyclohexyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118688421

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (CID 56813955) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is Cc1[nH]ncc1CNC1CCCCC1C(F)(F)F.Cl.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is BKNCPJYJDYCPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3.ClH/c1-8-9(7-17-18-8)6-16-11-5-3-2-4-10(11)12(13,14)15;/h7,10-11,16H,2-6H2,1H3,(H,17,18);1H.
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 56813955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).