3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol

C10H18N2O2S — CID 66137328

IUPAC3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
SMILESCc1nn(C)c(SC(C)CCO)c1CO
InChIInChI=1S/C10H18N2O2S/c1-7(4-5-13)15-10-9(6-14)8(2)11-12(10)3/h7,13-14H,4-6H2,1-3H3
InChIKeyQKRDTFUVCYRDPS-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.08
Rot. Bonds5

About 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol

3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol (PubChem CID 66137328) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
PubChem CID66137328
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
SMILESCc1nn(C)c(SC(C)CCO)c1CO
InChIInChI=1S/C10H18N2O2S/c1-7(4-5-13)15-10-9(6-14)8(2)11-12(10)3/h7,13-14H,4-6H2,1-3H3
InChIKeyQKRDTFUVCYRDPS-UHFFFAOYSA-N
XLogP1.08
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-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

3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
CID 66137324
3-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137994
5-(4-hydroxybutan-2-ylsulfanyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 66137546
[1,3-dimethyl-5-(4-methylphenyl)sulfanylpyrazol-4-yl]methanol
CID 63813224
2-[1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-yl]sulfanylpropan-1-ol
CID 113374003
[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
CID 55240038
[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
CID 63814128
3-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)sulfanylbutan-1-ol
CID 66136094
3-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)sulfanylbutan-1-ol
CID 66137662
3-(3-methyl-5-nitroimidazol-4-yl)sulfanylbutan-1-ol
CID 66138103
[5-(3,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanol
CID 63813106
[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol
CID 63835525

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol (CID 66137328) is 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol is Cc1nn(C)c(SC(C)CCO)c1CO.
What is the InChIKey of 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol?
The InChIKey is QKRDTFUVCYRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(4-5-13)15-10-9(6-14)8(2)11-12(10)3/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol?
3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 66137328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).