3-methyl-1-prop-2-enylpyrazol-4-ol

C7H10N2O — CID 70565491

IUPAC3-methyl-1-prop-2-enylpyrazol-4-ol
SMILESC=CCn1cc(O)c(C)n1
InChIInChI=1S/C7H10N2O/c1-3-4-9-5-7(10)6(2)8-9/h3,5,10H,1,4H2,2H3
InChIKeyFMGGYYUQWLBNMY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.08
Rot. Bonds2

About 3-methyl-1-prop-2-enylpyrazol-4-ol

3-methyl-1-prop-2-enylpyrazol-4-ol (PubChem CID 70565491) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylpyrazol-4-ol.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylpyrazol-4-ol
PubChem CID70565491
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-methyl-1-prop-2-enylpyrazol-4-ol
SMILESC=CCn1cc(O)c(C)n1
InChIInChI=1S/C7H10N2O/c1-3-4-9-5-7(10)6(2)8-9/h3,5,10H,1,4H2,2H3
InChIKeyFMGGYYUQWLBNMY-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46990947
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46997368
3-amino-1-prop-2-enylpyrazole-4-carboxamide
CID 59594471
(1S)-1-(1-methylimidazol-2-yl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 94595326
(1R)-1-(1-methylimidazol-2-yl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 94595327
3-(difluoromethyl)-1-prop-2-enylpyrazole-4-carbaldehyde
CID 118257653
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 46995894
4-[[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 46994344

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enylpyrazol-4-ol?
The IUPAC name of 3-methyl-1-prop-2-enylpyrazol-4-ol (CID 70565491) is 3-methyl-1-prop-2-enylpyrazol-4-ol.
What is the SMILES notation for 3-methyl-1-prop-2-enylpyrazol-4-ol?
The canonical SMILES for 3-methyl-1-prop-2-enylpyrazol-4-ol is C=CCn1cc(O)c(C)n1.
What is the InChIKey of 3-methyl-1-prop-2-enylpyrazol-4-ol?
The InChIKey is FMGGYYUQWLBNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-9-5-7(10)6(2)8-9/h3,5,10H,1,4H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylpyrazol-4-ol?
3-methyl-1-prop-2-enylpyrazol-4-ol has a molecular weight of 138.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enylpyrazol-4-ol is sourced from PubChem (CID 70565491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).