1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole

C9H14N2 — CID 123160512

IUPAC1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)c(C)nn1C
InChIInChI=1S/C9H14N2/c1-6(2)9-7(3)10-11(5)8(9)4/h4H2,1-3,5H3
InChIKeyDPMKZMUEMNCLIS-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.33
Rot. Bonds

About 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole

1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole (PubChem CID 123160512) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole
PubChem CID123160512
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)c(C)nn1C
InChIInChI=1S/C9H14N2/c1-6(2)9-7(3)10-11(5)8(9)4/h4H2,1-3,5H3
InChIKeyDPMKZMUEMNCLIS-UHFFFAOYSA-N
XLogP0.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The IUPAC name of 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole (CID 123160512) is 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole.
What is the SMILES notation for 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The canonical SMILES for 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole is C=c1c(=C(C)C)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The InChIKey is DPMKZMUEMNCLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)9-7(3)10-11(5)8(9)4/h4H2,1-3,5H3.
What are the key properties of 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole?
1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole has a molecular weight of 150.22 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylidene-4-propan-2-ylidenepyrazole is sourced from PubChem (CID 123160512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).