3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol

C10H18N2O2 — CID 103448660

IUPAC3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
SMILESCCC(C)(O)C(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-4-10(2,14)9(13)5-8-6-11-12(3)7-8/h6-7,9,13-14H,4-5H2,1-3H3
InChIKeyNBPRLWAIKYJMRE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.48
Rot. Bonds4

About 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol

3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol (PubChem CID 103448660) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
PubChem CID103448660
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
SMILESCCC(C)(O)C(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-4-10(2,14)9(13)5-8-6-11-12(3)7-8/h6-7,9,13-14H,4-5H2,1-3H3
InChIKeyNBPRLWAIKYJMRE-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
CID 79068516
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol (CID 103448660) is 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol is CCC(C)(O)C(O)Cc1cnn(C)c1.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol?
The InChIKey is NBPRLWAIKYJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-10(2,14)9(13)5-8-6-11-12(3)7-8/h6-7,9,13-14H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol?
3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol has a molecular weight of 198.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol is sourced from PubChem (CID 103448660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).