(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole

C10H12N2 — CID 134342605

IUPAC(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C)/c1=C/C=C
InChIInChI=1S/C10H12N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h4-8H,1-2H2,3H3/b9-6-,10-7+
InChIKeyVNLMQFNHQRKRNJ-PCCLLEMOSA-N
MW160.22 g/mol
LogP0.35
Rot. Bonds2

About (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole

(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole (PubChem CID 134342605) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
PubChem CID134342605
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C)/c1=C/C=C
InChIInChI=1S/C10H12N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h4-8H,1-2H2,3H3/b9-6-,10-7+
InChIKeyVNLMQFNHQRKRNJ-PCCLLEMOSA-N
XLogP0.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole?
The IUPAC name of (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole (CID 134342605) is (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole.
What is the SMILES notation for (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole?
The canonical SMILES for (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole is C=C/C=c1/cnn(C)/c1=C/C=C.
What is the InChIKey of (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole?
The InChIKey is VNLMQFNHQRKRNJ-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h4-8H,1-2H2,3H3/b9-6-,10-7+.
What are the key properties of (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole?
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole has a molecular weight of 160.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole is sourced from PubChem (CID 134342605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).