2-(2-methylpyrazol-3-yl)heptan-2-ol

C11H20N2O — CID 80558571

IUPAC2-(2-methylpyrazol-3-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1ccnn1C
InChIInChI=1S/C11H20N2O/c1-4-5-6-8-11(2,14)10-7-9-12-13(10)3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyDIYNIJCLZYFCBM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.21
Rot. Bonds5

About 2-(2-methylpyrazol-3-yl)heptan-2-ol

2-(2-methylpyrazol-3-yl)heptan-2-ol (PubChem CID 80558571) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)heptan-2-ol.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)heptan-2-ol
PubChem CID80558571
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-methylpyrazol-3-yl)heptan-2-ol
SMILESCCCCCC(C)(O)c1ccnn1C
InChIInChI=1S/C11H20N2O/c1-4-5-6-8-11(2,14)10-7-9-12-13(10)3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyDIYNIJCLZYFCBM-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methylpyrazol-3-yl)heptan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66039354
1-(methylamino)-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66036986
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802
3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine
CID 81014461
2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
CID 83828501
5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
2-methyl-2-(2-methylpyrazol-3-yl)propanoic acid
CID 63963504
2-(4-methylphenyl)octan-2-ol
CID 65144778
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)heptan-2-ol?
The IUPAC name of 2-(2-methylpyrazol-3-yl)heptan-2-ol (CID 80558571) is 2-(2-methylpyrazol-3-yl)heptan-2-ol.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)heptan-2-ol?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)heptan-2-ol is CCCCCC(C)(O)c1ccnn1C.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)heptan-2-ol?
The InChIKey is DIYNIJCLZYFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-8-11(2,14)10-7-9-12-13(10)3/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)heptan-2-ol?
2-(2-methylpyrazol-3-yl)heptan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)heptan-2-ol is sourced from PubChem (CID 80558571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).