4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane

C11H22N2 — CID 143245771

IUPAC4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane
SMILESC=CC1=C(C=C)NNC1.CC.CC
InChIInChI=1S/C7H10N2.2C2H6/c1-3-6-5-8-9-7(6)4-2;2*1-2/h3-4,8-9H,1-2,5H2;2*1-2H3
InChIKeyNLBWRTFQNDHDRI-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.77
Rot. Bonds2

About 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane

4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane (PubChem CID 143245771) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane
PubChem CID143245771
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane
SMILESC=CC1=C(C=C)NNC1.CC.CC
InChIInChI=1S/C7H10N2.2C2H6/c1-3-6-5-8-9-7(6)4-2;2*1-2/h3-4,8-9H,1-2,5H2;2*1-2H3
InChIKeyNLBWRTFQNDHDRI-UHFFFAOYSA-N
XLogP2.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[(3Z,5Z)-7-fluoro-6-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 144940616
5-[(1Z)-2-methylbuta-1,3-dienyl]-4-propan-2-yl-2,3-dihydro-1H-pyrazole
CID 88900437
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-methylhydrazine
CID 89324381
1-[(Z)-2-methylidenehex-3-enyl]-2-prop-2-enylhydrazine
CID 121419922
2,3-dihydro-1H-cycloocta[c]pyrazole
CID 123530915
(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
CID 130320073
ethane;3-ethenyl-5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrazole
CID 141785617
4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane
CID 142007568
ethane;5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1H-pyrazole
CID 142966097
(2Z,4E,6Z)-4-hydrazinylnona-2,4,6-trien-1-amine
CID 142986206
Ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole
CID 143036173
3,4-Dimethyl-1,2-dihydropyridazine
CID 143126425

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane?
The IUPAC name of 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane (CID 143245771) is 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane is C=CC1=C(C=C)NNC1.CC.CC.
What is the InChIKey of 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane?
The InChIKey is NLBWRTFQNDHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.2C2H6/c1-3-6-5-8-9-7(6)4-2;2*1-2/h3-4,8-9H,1-2,5H2;2*1-2H3.
What are the key properties of 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane?
4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane has a molecular weight of 182.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2,3-dihydro-1H-pyrazole;ethane is sourced from PubChem (CID 143245771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).