4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol

C16H21N3O — CID 106594322

IUPAC4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C16H21N3O/c20-16-8-6-15(7-9-16)18-14-4-2-13(3-5-14)12-19-11-1-10-17-19/h1-5,10-11,15-16,18,20H,6-9,12H2
InChIKeyYHJJRPLCARIPDT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol

4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol (PubChem CID 106594322) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
PubChem CID106594322
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C16H21N3O/c20-16-8-6-15(7-9-16)18-14-4-2-13(3-5-14)12-19-11-1-10-17-19/h1-5,10-11,15-16,18,20H,6-9,12H2
InChIKeyYHJJRPLCARIPDT-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol (CID 106594322) is 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol is OC1CCC(Nc2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol?
The InChIKey is YHJJRPLCARIPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-8-6-15(7-9-16)18-14-4-2-13(3-5-14)12-19-11-1-10-17-19/h1-5,10-11,15-16,18,20H,6-9,12H2.
What are the key properties of 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol?
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106594322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).