2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol

C7H12N2O — CID 175925932

IUPAC2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol
SMILES[2H]n1cc(C)c(C(C)(C)O)n1
InChIInChI=1S/C7H12N2O/c1-5-4-8-9-6(5)7(2,3)10/h4,10H,1-3H3,(H,8,9)/i/hD
InChIKeyABDRKDNGTHQHOT-DYCDLGHISA-N
MW141.19 g/mol
LogP0.95
Rot. Bonds1

About 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol

2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol (PubChem CID 175925932) has the molecular formula C7H12N2O and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol
PubChem CID175925932
Molecular FormulaC7H12N2O
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol
SMILES[2H]n1cc(C)c(C(C)(C)O)n1
InChIInChI=1S/C7H12N2O/c1-5-4-8-9-6(5)7(2,3)10/h4,10H,1-3H3,(H,8,9)/i/hD
InChIKeyABDRKDNGTHQHOT-DYCDLGHISA-N
XLogP0.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-deuterio-4-methylpyrazol-3-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol (CID 175925932) is 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol is [2H]n1cc(C)c(C(C)(C)O)n1.
What is the InChIKey of 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is ABDRKDNGTHQHOT-DYCDLGHISA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-8-9-6(5)7(2,3)10/h4,10H,1-3H3,(H,8,9)/i/hD.
What are the key properties of 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol?
2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 141.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuterio-4-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 175925932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).