4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol

C15H19N3O — CID 107329962

IUPAC4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-12-6-9-15(19,10-7-12)14-8-11-17-18(14)13-4-2-1-3-5-13/h1-5,8,11-12,19H,6-7,9-10,16H2
InChIKeyUCRGXHNHBVZBMB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds2

About 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol

4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 107329962) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID107329962
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C15H19N3O/c16-12-6-9-15(19,10-7-12)14-8-11-17-18(14)13-4-2-1-3-5-13/h1-5,8,11-12,19H,6-7,9-10,16H2
InChIKeyUCRGXHNHBVZBMB-UHFFFAOYSA-N
XLogP1.96
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol (CID 107329962) is 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol is NC1CCC(O)(c2ccnn2-c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is UCRGXHNHBVZBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-12-6-9-15(19,10-7-12)14-8-11-17-18(14)13-4-2-1-3-5-13/h1-5,8,11-12,19H,6-7,9-10,16H2.
What are the key properties of 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 107329962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).