1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol

C7H12N2O3 — CID 170817285

IUPAC1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
SMILESCc1[nH]ncc1C(O)C(O)CO
InChIInChI=1S/C7H12N2O3/c1-4-5(2-8-9-4)7(12)6(11)3-10/h2,6-7,10-12H,3H2,1H3,(H,8,9)
InChIKeyGROKWZZLHDEYJC-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.90
Rot. Bonds3

About 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol

1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol (PubChem CID 170817285) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
PubChem CID170817285
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
SMILESCc1[nH]ncc1C(O)C(O)CO
InChIInChI=1S/C7H12N2O3/c1-4-5(2-8-9-4)7(12)6(11)3-10/h2,6-7,10-12H,3H2,1H3,(H,8,9)
InChIKeyGROKWZZLHDEYJC-UHFFFAOYSA-N
XLogP-0.90
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1H-pyrazol-4-yl)-3-sulfanylpropane-1,2-diol
CID 170819275
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol
CID 82408321
1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
CID 171861448
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
1-(2-methylthiophen-3-yl)propane-1,2,3-triol
CID 170817278
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol (CID 170817285) is 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol is Cc1[nH]ncc1C(O)C(O)CO.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol?
The InChIKey is GROKWZZLHDEYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4-5(2-8-9-4)7(12)6(11)3-10/h2,6-7,10-12H,3H2,1H3,(H,8,9).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol?
1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol has a molecular weight of 172.18 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol is sourced from PubChem (CID 170817285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).