2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole

C9H14N2 — CID 134171666

IUPAC2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole
SMILESC=CN1NC(=C)C=C1C(C)C
InChIInChI=1S/C9H14N2/c1-5-11-9(7(2)3)6-8(4)10-11/h5-7,10H,1,4H2,2-3H3
InChIKeyQTFZCNSIXHLTQD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds2

About 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole

2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole (PubChem CID 134171666) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole
PubChem CID134171666
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole
SMILESC=CN1NC(=C)C=C1C(C)C
InChIInChI=1S/C9H14N2/c1-5-11-9(7(2)3)6-8(4)10-11/h5-7,10H,1,4H2,2-3H3
InChIKeyQTFZCNSIXHLTQD-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole (CID 134171666) is 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole is C=CN1NC(=C)C=C1C(C)C.
What is the InChIKey of 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole?
The InChIKey is QTFZCNSIXHLTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-11-9(7(2)3)6-8(4)10-11/h5-7,10H,1,4H2,2-3H3.
What are the key properties of 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole?
2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 134171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).