[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

C15H27N3O — CID 79641284

IUPAC[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCc1cc(C)n(C2CCCC(CO)(NC(C)C)C2)n1
InChIInChI=1S/C15H27N3O/c1-11(2)16-15(10-19)7-5-6-14(9-15)18-13(4)8-12(3)17-18/h8,11,14,16,19H,5-7,9-10H2,1-4H3
InChIKeyBHSRANYIYPFEOG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.34
Rot. Bonds4

About [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79641284) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79641284
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCc1cc(C)n(C2CCCC(CO)(NC(C)C)C2)n1
InChIInChI=1S/C15H27N3O/c1-11(2)16-15(10-19)7-5-6-14(9-15)18-13(4)8-12(3)17-18/h8,11,14,16,19H,5-7,9-10H2,1-4H3
InChIKeyBHSRANYIYPFEOG-UHFFFAOYSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79641284) is [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is Cc1cc(C)n(C2CCCC(CO)(NC(C)C)C2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is BHSRANYIYPFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)16-15(10-19)7-5-6-14(9-15)18-13(4)8-12(3)17-18/h8,11,14,16,19H,5-7,9-10H2,1-4H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79641284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).