4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol

C16H21N3O — CID 82539345

IUPAC4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H21N3O/c20-16-8-6-14(7-9-16)18-15-10-17-19(12-15)11-13-4-2-1-3-5-13/h1-5,10,12,14,16,18,20H,6-9,11H2
InChIKeyDBXLKFCJVPFOIO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol

4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol (PubChem CID 82539345) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
PubChem CID82539345
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H21N3O/c20-16-8-6-14(7-9-16)18-15-10-17-19(12-15)11-13-4-2-1-3-5-13/h1-5,10,12,14,16,18,20H,6-9,11H2
InChIKeyDBXLKFCJVPFOIO-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

1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
CID 130645912
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol (CID 82539345) is 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol?
The InChIKey is DBXLKFCJVPFOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-8-6-14(7-9-16)18-15-10-17-19(12-15)11-13-4-2-1-3-5-13/h1-5,10,12,14,16,18,20H,6-9,11H2.
What are the key properties of 4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol?
4-[(1-benzylpyrazol-4-yl)amino]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-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 82539345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).