3-(1-methylpyrazol-4-yl)prop-2-en-1-ol

C7H10N2O — CID 79335463

IUPAC3-(1-methylpyrazol-4-yl)prop-2-en-1-ol
SMILESCn1cc(C=CCO)cn1
InChIInChI=1S/C7H10N2O/c1-9-6-7(5-8-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3
InChIKeyWXJJXFWBPIVOJP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.43
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol

3-(1-methylpyrazol-4-yl)prop-2-en-1-ol (PubChem CID 79335463) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)prop-2-en-1-ol
PubChem CID79335463
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(1-methylpyrazol-4-yl)prop-2-en-1-ol
SMILESCn1cc(C=CCO)cn1
InChIInChI=1S/C7H10N2O/c1-9-6-7(5-8-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3
InChIKeyWXJJXFWBPIVOJP-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
CID 177039427
(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 135343059
4-(1-methylpyrazol-4-yl)but-3-enamide
CID 170797292
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
CID 79590615
N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 77064998
1-methyl-4-(2-methylprop-1-enyl)pyrazole
CID 155941655
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103843789
(NZ)-N-[(1-methylpyrazol-4-yl)methylidene]hydroxylamine
CID 6161558
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol (CID 79335463) is 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol is Cn1cc(C=CCO)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is WXJJXFWBPIVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-6-7(5-8-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol?
3-(1-methylpyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 79335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).