N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C11H16F3N3 — CID 62403540

IUPACN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cn[nH]c1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-16-17-7-8/h6-7,9-10,15H,1-5H2,(H,16,17)
InChIKeyYZGACVNABMCPAV-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.62
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62403540) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62403540
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cn[nH]c1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-16-17-7-8/h6-7,9-10,15H,1-5H2,(H,16,17)
InChIKeyYZGACVNABMCPAV-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 62403540) is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YZGACVNABMCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-16-17-7-8/h6-7,9-10,15H,1-5H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62403540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).