2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol

C16H21N3O — CID 60612400

IUPAC2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N3O/c20-16-5-2-1-4-15(16)17-12-13-6-8-14(9-7-13)19-11-3-10-18-19/h3,6-11,15-17,20H,1-2,4-5,12H2
InChIKeyPTYNLAPWXHCREL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds4

About 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol

2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 60612400) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
PubChem CID60612400
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N3O/c20-16-5-2-1-4-15(16)17-12-13-6-8-14(9-7-13)19-11-3-10-18-19/h3,6-11,15-17,20H,1-2,4-5,12H2
InChIKeyPTYNLAPWXHCREL-UHFFFAOYSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol (CID 60612400) is 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is PTYNLAPWXHCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-5-2-1-4-15(16)17-12-13-6-8-14(9-7-13)19-11-3-10-18-19/h3,6-11,15-17,20H,1-2,4-5,12H2.
What are the key properties of 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol?
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60612400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).