3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole

C17H26N2 — CID 170043562

IUPAC3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
SMILESCc1nn(C2C=CC(C(C)C)=CC2)c(C)c1C(C)C
InChIInChI=1S/C17H26N2/c1-11(2)15-7-9-16(10-8-15)19-14(6)17(12(3)4)13(5)18-19/h7-9,11-12,16H,10H2,1-6H3
InChIKeyGZXAWMKDTZUYFN-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.71
Rot. Bonds3

About 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole

3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole (PubChem CID 170043562) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
PubChem CID170043562
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
SMILESCc1nn(C2C=CC(C(C)C)=CC2)c(C)c1C(C)C
InChIInChI=1S/C17H26N2/c1-11(2)15-7-9-16(10-8-15)19-14(6)17(12(3)4)13(5)18-19/h7-9,11-12,16H,10H2,1-6H3
InChIKeyGZXAWMKDTZUYFN-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole (CID 170043562) is 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole is Cc1nn(C2C=CC(C(C)C)=CC2)c(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole?
The InChIKey is GZXAWMKDTZUYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-11(2)15-7-9-16(10-8-15)19-14(6)17(12(3)4)13(5)18-19/h7-9,11-12,16H,10H2,1-6H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole?
3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole has a molecular weight of 258.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole is sourced from PubChem (CID 170043562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).