1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole

C17H22N2 — CID 167567159

IUPAC1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole
SMILESC=c1c(C)c(C)c(=c2c(C)nn(C)c2=C)c(C)c1C
InChIInChI=1S/C17H22N2/c1-9-10(2)12(4)16(13(5)11(9)3)17-14(6)18-19(8)15(17)7/h1,7H2,2-6,8H3
InChIKeyGGCJREYTOMWIHS-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.07
Rot. Bonds

About 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole

1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole (PubChem CID 167567159) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole
PubChem CID167567159
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole
SMILESC=c1c(C)c(C)c(=c2c(C)nn(C)c2=C)c(C)c1C
InChIInChI=1S/C17H22N2/c1-9-10(2)12(4)16(13(5)11(9)3)17-14(6)18-19(8)15(17)7/h1,7H2,2-6,8H3
InChIKeyGGCJREYTOMWIHS-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.07
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-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole?
The IUPAC name of 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole (CID 167567159) is 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole?
The canonical SMILES for 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole is C=c1c(C)c(C)c(=c2c(C)nn(C)c2=C)c(C)c1C.
What is the InChIKey of 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole?
The InChIKey is GGCJREYTOMWIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-9-10(2)12(4)16(13(5)11(9)3)17-14(6)18-19(8)15(17)7/h1,7H2,2-6,8H3.
What are the key properties of 1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole?
1,3-dimethyl-5-methylidene-4-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole has a molecular weight of 254.38 g/mol, XLogP of 2.07, 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-(2,3,5,6-tetramethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)pyrazole is sourced from PubChem (CID 167567159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).