5-(2-methylprop-1-enyl)-1H-pyrazole

C7H10N2 — CID 3041554

IUPAC5-(2-methylprop-1-enyl)-1H-pyrazole
SMILESCC(C)=Cc1ccn[nH]1
InChIInChI=1S/C7H10N2/c1-6(2)5-7-3-4-8-9-7/h3-5H,1-2H3,(H,8,9)
InChIKeyWLNPJBFMCCXPLZ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.83
Rot. Bonds1

About 5-(2-methylprop-1-enyl)-1H-pyrazole

5-(2-methylprop-1-enyl)-1H-pyrazole (PubChem CID 3041554) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-(2-methylprop-1-enyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methylprop-1-enyl)-1H-pyrazole
PubChem CID3041554
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-(2-methylprop-1-enyl)-1H-pyrazole
SMILESCC(C)=Cc1ccn[nH]1
InChIInChI=1S/C7H10N2/c1-6(2)5-7-3-4-8-9-7/h3-5H,1-2H3,(H,8,9)
InChIKeyWLNPJBFMCCXPLZ-UHFFFAOYSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(1H-pyrazol-5-ylmethylidene)propanedinitrile
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Allyl pyrazole
CID 18506322
5-(cyclohexen-1-yl)-1H-pyrazole
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Methallylpyrazole
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CID 72436196

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enyl)-1H-pyrazole?
The IUPAC name of 5-(2-methylprop-1-enyl)-1H-pyrazole (CID 3041554) is 5-(2-methylprop-1-enyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methylprop-1-enyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methylprop-1-enyl)-1H-pyrazole is CC(C)=Cc1ccn[nH]1.
What is the InChIKey of 5-(2-methylprop-1-enyl)-1H-pyrazole?
The InChIKey is WLNPJBFMCCXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(2)5-7-3-4-8-9-7/h3-5H,1-2H3,(H,8,9).
What are the key properties of 5-(2-methylprop-1-enyl)-1H-pyrazole?
5-(2-methylprop-1-enyl)-1H-pyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enyl)-1H-pyrazole is sourced from PubChem (CID 3041554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).