trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

C10H16FN3 — CID 130610039

IUPACtrans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESF[C@@H]1CCCC[C@H]1NCc1cn[nH]c1
InChIInChI=1S/C10H16FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h6-7,9-10,12H,1-5H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyMGOZMEVVLFRYHK-NXEZZACHSA-N
MW197.26 g/mol
LogP1.78
Rot. Bonds3

About trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine

trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 130610039) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID130610039
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESF[C@@H]1CCCC[C@H]1NCc1cn[nH]c1
InChIInChI=1S/C10H16FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h6-7,9-10,12H,1-5H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyMGOZMEVVLFRYHK-NXEZZACHSA-N
XLogP1.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54897443
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62403357
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62403540
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62403541
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 63086463
N-[3-[4-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine
CID 64176977
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102613085
1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 102869224
N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914598
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844820

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (CID 130610039) is trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is F[C@@H]1CCCC[C@H]1NCc1cn[nH]c1.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is MGOZMEVVLFRYHK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h6-7,9-10,12H,1-5H2,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 197.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 130610039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).