1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C12H18N4O — CID 64772056

IUPAC1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cnn(C)c2)n1
InChIInChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)6-12(17)10-7-13-15(3)8-10/h4-5,7-9,12,17H,6H2,1-3H3
InChIKeyOBCZCIAKQZBWKV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 64772056) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID64772056
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cnn(C)c2)n1
InChIInChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)6-12(17)10-7-13-15(3)8-10/h4-5,7-9,12,17H,6H2,1-3H3
InChIKeyOBCZCIAKQZBWKV-UHFFFAOYSA-N
XLogP1.47
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol 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

N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79980806
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 59525951
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954
2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 65478279
[1-(1-methylpyrazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105228507
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 64772056) is 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cnn(C)c2)n1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is OBCZCIAKQZBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)6-12(17)10-7-13-15(3)8-10/h4-5,7-9,12,17H,6H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64772056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).