3-ethenyl-5-propan-2-yl-4H-pyrazole

C8H12N2 — CID 174343764

IUPAC3-ethenyl-5-propan-2-yl-4H-pyrazole
SMILESC=CC1=NN=C(C(C)C)C1
InChIInChI=1S/C8H12N2/c1-4-7-5-8(6(2)3)10-9-7/h4,6H,1,5H2,2-3H3
InChIKeyKHPVHPOQZGXICF-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.03
Rot. Bonds2

About 3-ethenyl-5-propan-2-yl-4H-pyrazole

3-ethenyl-5-propan-2-yl-4H-pyrazole (PubChem CID 174343764) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-ethenyl-5-propan-2-yl-4H-pyrazole.

Molecular Properties

Compound Name3-ethenyl-5-propan-2-yl-4H-pyrazole
PubChem CID174343764
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-ethenyl-5-propan-2-yl-4H-pyrazole
SMILESC=CC1=NN=C(C(C)C)C1
InChIInChI=1S/C8H12N2/c1-4-7-5-8(6(2)3)10-9-7/h4,6H,1,5H2,2-3H3
InChIKeyKHPVHPOQZGXICF-UHFFFAOYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-propan-2-yl-4H-pyrazole?
The IUPAC name of 3-ethenyl-5-propan-2-yl-4H-pyrazole (CID 174343764) is 3-ethenyl-5-propan-2-yl-4H-pyrazole.
What is the SMILES notation for 3-ethenyl-5-propan-2-yl-4H-pyrazole?
The canonical SMILES for 3-ethenyl-5-propan-2-yl-4H-pyrazole is C=CC1=NN=C(C(C)C)C1.
What is the InChIKey of 3-ethenyl-5-propan-2-yl-4H-pyrazole?
The InChIKey is KHPVHPOQZGXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-5-8(6(2)3)10-9-7/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-5-propan-2-yl-4H-pyrazole?
3-ethenyl-5-propan-2-yl-4H-pyrazole has a molecular weight of 136.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-propan-2-yl-4H-pyrazole is sourced from PubChem (CID 174343764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).