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

C9H16N2O2 — CID 103454881

IUPAC1-(1-methylpyrazol-4-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(12)9(13)7-5-10-11(2)6-7/h5-6,8-9,12-13H,3-4H2,1-2H3
InChIKeyJTRKIJHHQVLMIQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.61
Rot. Bonds4

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

1-(1-methylpyrazol-4-yl)pentane-1,2-diol (PubChem CID 103454881) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)pentane-1,2-diol
PubChem CID103454881
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(1-methylpyrazol-4-yl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cnn(C)c1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(12)9(13)7-5-10-11(2)6-7/h5-6,8-9,12-13H,3-4H2,1-2H3
InChIKeyJTRKIJHHQVLMIQ-UHFFFAOYSA-N
XLogP0.61
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
CID 171880658
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
2-[hydroxy-(1-methylpyrazol-4-yl)methyl]butanenitrile
CID 79137488
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)pentane-1,2-diol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)pentane-1,2-diol (CID 103454881) is 1-(1-methylpyrazol-4-yl)pentane-1,2-diol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)pentane-1,2-diol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)pentane-1,2-diol is CCCC(O)C(O)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)pentane-1,2-diol?
The InChIKey is JTRKIJHHQVLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-8(12)9(13)7-5-10-11(2)6-7/h5-6,8-9,12-13H,3-4H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)pentane-1,2-diol?
1-(1-methylpyrazol-4-yl)pentane-1,2-diol has a molecular weight of 184.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)pentane-1,2-diol is sourced from PubChem (CID 103454881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).