N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 43730364

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CNC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3/c1-18-8-9(7-17-18)6-16-11-4-2-10(3-5-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3
InChIKeyPOEXOQUFNDBRDT-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.63
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730364) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730364
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CNC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N3/c1-18-8-9(7-17-18)6-16-11-4-2-10(3-5-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3
InChIKeyPOEXOQUFNDBRDT-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730364) is N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cn1cc(CNC2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is POEXOQUFNDBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-18-8-9(7-17-18)6-16-11-4-2-10(3-5-11)12(13,14)15/h7-8,10-11,16H,2-6H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).