1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole

C10H12N2 — CID 90837464

IUPAC1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole
SMILESCc1cnn(C2=CCCC=C2)c1
InChIInChI=1S/C10H12N2/c1-9-7-11-12(8-9)10-5-3-2-4-6-10/h3,5-8H,2,4H2,1H3
InChIKeyREBOFSRYEMBXEO-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.38
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole

1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole (PubChem CID 90837464) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole
PubChem CID90837464
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole
SMILESCc1cnn(C2=CCCC=C2)c1
InChIInChI=1S/C10H12N2/c1-9-7-11-12(8-9)10-5-3-2-4-6-10/h3,5-8H,2,4H2,1H3
InChIKeyREBOFSRYEMBXEO-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole (CID 90837464) is 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole is Cc1cnn(C2=CCCC=C2)c1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole?
The InChIKey is REBOFSRYEMBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-7-11-12(8-9)10-5-3-2-4-6-10/h3,5-8H,2,4H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole?
1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole has a molecular weight of 160.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-methylpyrazole is sourced from PubChem (CID 90837464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).