4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole

C9H9ClN2 — CID 143938756

IUPAC4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole
SMILESC=Cc1c(/C=C\Cl)cnn1C=C
InChIInChI=1S/C9H9ClN2/c1-3-9-8(5-6-10)7-11-12(9)4-2/h3-7H,1-2H2/b6-5-
InChIKeyMKCFQRFSNZWRPI-WAYWQWQTSA-N
MW180.64 g/mol
LogP2.84
Rot. Bonds3

About 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole

4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole (PubChem CID 143938756) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole.

Molecular Properties

Compound Name4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole
PubChem CID143938756
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole
SMILESC=Cc1c(/C=C\Cl)cnn1C=C
InChIInChI=1S/C9H9ClN2/c1-3-9-8(5-6-10)7-11-12(9)4-2/h3-7H,1-2H2/b6-5-
InChIKeyMKCFQRFSNZWRPI-WAYWQWQTSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-ethenyl-5-methylpyrazole-4-carbonitrile
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5-ethenyl-1-iodo-4-methylpyrazole
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1,5-bis(ethenyl)triazole;ethane
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CID 167469898
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4,5-bis(ethenyl)imidazol-1-amine
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(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
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1-chloro-2-ethenylbenzene;2-chloroethenylbenzene
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4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol
CID 162357905

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole?
The IUPAC name of 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole (CID 143938756) is 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole.
What is the SMILES notation for 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole?
The canonical SMILES for 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole is C=Cc1c(/C=C\Cl)cnn1C=C.
What is the InChIKey of 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole?
The InChIKey is MKCFQRFSNZWRPI-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-3-9-8(5-6-10)7-11-12(9)4-2/h3-7H,1-2H2/b6-5-.
What are the key properties of 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole?
4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole has a molecular weight of 180.64 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole is sourced from PubChem (CID 143938756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).