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

C16H21N3O — CID 107331436

IUPAC4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-17-13-7-10-16(20,11-8-13)15-9-12-18-19(15)14-5-3-2-4-6-14/h2-6,9,12-13,17,20H,7-8,10-11H2,1H3
InChIKeyPELGZVNLXODHIZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds3

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

4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 107331436) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID107331436
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-17-13-7-10-16(20,11-8-13)15-9-12-18-19(15)14-5-3-2-4-6-14/h2-6,9,12-13,17,20H,7-8,10-11H2,1H3
InChIKeyPELGZVNLXODHIZ-UHFFFAOYSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol (CID 107331436) is 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol is CNC1CCC(O)(c2ccnn2-c2ccccc2)CC1.
What is the InChIKey of 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is PELGZVNLXODHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-13-7-10-16(20,11-8-13)15-9-12-18-19(15)14-5-3-2-4-6-14/h2-6,9,12-13,17,20H,7-8,10-11H2,1H3.
What are the key properties of 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol?
4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 107331436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).