2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol

C18H24FN3O — CID 111696192

IUPAC2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNCc2cn[nH]c2-c2ccc(F)cc2)CCCCC1O
InChIInChI=1S/C18H24FN3O/c1-18(9-3-2-4-16(18)23)12-20-10-14-11-21-22-17(14)13-5-7-15(19)8-6-13/h5-8,11,16,20,23H,2-4,9-10,12H2,1H3,(H,21,22)
InChIKeyPZGYUTZRZZNNBK-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.25
Rot. Bonds5

About 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol

2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol (PubChem CID 111696192) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
PubChem CID111696192
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNCc2cn[nH]c2-c2ccc(F)cc2)CCCCC1O
InChIInChI=1S/C18H24FN3O/c1-18(9-3-2-4-16(18)23)12-20-10-14-11-21-22-17(14)13-5-7-15(19)8-6-13/h5-8,11,16,20,23H,2-4,9-10,12H2,1H3,(H,21,22)
InChIKeyPZGYUTZRZZNNBK-UHFFFAOYSA-N
XLogP3.25
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1H-indazol-7-ylmethylamino)methyl]-2-methylcyclohexan-1-ol
CID 111969476
1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108448
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
1-(cyclohexen-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 131894979
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-propoxyethanamine
CID 46983886
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467905
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
CID 46998774
1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
CID 110018928
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol (CID 111696192) is 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol is CC1(CNCc2cn[nH]c2-c2ccc(F)cc2)CCCCC1O.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol?
The InChIKey is PZGYUTZRZZNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-18(9-3-2-4-16(18)23)12-20-10-14-11-21-22-17(14)13-5-7-15(19)8-6-13/h5-8,11,16,20,23H,2-4,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol?
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol has a molecular weight of 317.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 111696192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).