N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C11H16F3N3 — CID 43730749

IUPACN-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1ccn[nH]1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-7-8-5-6-16-17-8/h5-6,9-10,15H,1-4,7H2,(H,16,17)
InChIKeyHQICBNMBCZVUIT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.62
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730749) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730749
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1ccn[nH]1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-7-8-5-6-16-17-8/h5-6,9-10,15H,1-4,7H2,(H,16,17)
InChIKeyHQICBNMBCZVUIT-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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Related Compounds

5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110249240
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
CID 75438377
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 124292071
1,1,1,7,7,7-hexafluoro-N-(1H-pyrazol-5-ylmethyl)heptan-4-amine
CID 132324133
(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
CID 164638732
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
CID 145285431
(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
CID 145285500
methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
CID 145285689
(2R,4S)-1-tert-butyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
CID 148455062
N-(1-cyclohexylethenyl)-5-(difluoromethyl)-1H-pyrazol-4-amine
CID 154947834

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 43730749) is N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HQICBNMBCZVUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)9-3-1-2-4-10(9)15-7-8-5-6-16-17-8/h5-6,9-10,15H,1-4,7H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(1H-pyrazol-5-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-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).