(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole

C9H12N2 — CID 162529296

IUPAC(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1\c(=C)cnn1C
InChIInChI=1S/C9H12N2/c1-7(2)5-9-8(3)6-10-11(9)4/h5-6H,1,3H2,2,4H3/b9-5+
InChIKeyOGIHQOLXEYFDSZ-WEVVVXLNSA-N
MW148.21 g/mol
LogP0.19
Rot. Bonds1

About (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole

(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole (PubChem CID 162529296) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole
PubChem CID162529296
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole
SMILESC=C(C)/C=c1\c(=C)cnn1C
InChIInChI=1S/C9H12N2/c1-7(2)5-9-8(3)6-10-11(9)4/h5-6H,1,3H2,2,4H3/b9-5+
InChIKeyOGIHQOLXEYFDSZ-WEVVVXLNSA-N
XLogP0.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole?
The IUPAC name of (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole (CID 162529296) is (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole.
What is the SMILES notation for (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole?
The canonical SMILES for (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole is C=C(C)/C=c1\c(=C)cnn1C.
What is the InChIKey of (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole?
The InChIKey is OGIHQOLXEYFDSZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(2)5-9-8(3)6-10-11(9)4/h5-6H,1,3H2,2,4H3/b9-5+.
What are the key properties of (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole?
(5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole has a molecular weight of 148.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-4-methylidene-5-(2-methylprop-2-enylidene)pyrazole is sourced from PubChem (CID 162529296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).