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

C12H16N2 — CID 134342636

IUPAC(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C(C)C)/c1=C/C=C
InChIInChI=1S/C12H16N2/c1-5-7-11-9-13-14(10(3)4)12(11)8-6-2/h5-10H,1-2H2,3-4H3/b11-7-,12-8+
InChIKeyWUVYXYWBKUUAQB-NTLHZVPKSA-N
MW188.27 g/mol
LogP1.40
Rot. Bonds3

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

(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole (PubChem CID 134342636) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
PubChem CID134342636
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C(C)C)/c1=C/C=C
InChIInChI=1S/C12H16N2/c1-5-7-11-9-13-14(10(3)4)12(11)8-6-2/h5-10H,1-2H2,3-4H3/b11-7-,12-8+
InChIKeyWUVYXYWBKUUAQB-NTLHZVPKSA-N
XLogP1.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole?
The IUPAC name of (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole (CID 134342636) is (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole.
What is the SMILES notation for (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole?
The canonical SMILES for (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole is C=C/C=c1/cnn(C(C)C)/c1=C/C=C.
What is the InChIKey of (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole?
The InChIKey is WUVYXYWBKUUAQB-NTLHZVPKSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-7-11-9-13-14(10(3)4)12(11)8-6-2/h5-10H,1-2H2,3-4H3/b11-7-,12-8+.
What are the key properties of (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole?
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole has a molecular weight of 188.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole is sourced from PubChem (CID 134342636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).