1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol

C10H18N2O2 — CID 130527392

IUPAC1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1c(C)cnn1C
InChIInChI=1S/C10H18N2O2/c1-5-10(3,14)9(13)8-7(2)6-11-12(8)4/h6,9,13-14H,5H2,1-4H3
InChIKeyKKCRXBGPPJSGJN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.92
Rot. Bonds3

About 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol

1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol (PubChem CID 130527392) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol
PubChem CID130527392
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1c(C)cnn1C
InChIInChI=1S/C10H18N2O2/c1-5-10(3,14)9(13)8-7(2)6-11-12(8)4/h6,9,13-14H,5H2,1-4H3
InChIKeyKKCRXBGPPJSGJN-UHFFFAOYSA-N
XLogP0.92
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
1-(1,4-dimethylpyrazol-5-yl)-2,2-difluoropropan-1-ol
CID 131119422
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592
1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
CID 130943640
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
(1,4-dimethylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 112742297
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol (CID 130527392) is 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1c(C)cnn1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol?
The InChIKey is KKCRXBGPPJSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-10(3,14)9(13)8-7(2)6-11-12(8)4/h6,9,13-14H,5H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol?
1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol has a molecular weight of 198.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 130527392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).