2,4-dimethyl-3,7-dihydroindazole

C9H12N2 — CID 118133040

IUPAC2,4-dimethyl-3,7-dihydroindazole
SMILESCC1=C2CN(C)N=C2CC=C1
InChIInChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-11(2)10-9/h3-4H,5-6H2,1-2H3
InChIKeyQKMQFVAVAZXVND-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.56
Rot. Bonds

About 2,4-dimethyl-3,7-dihydroindazole

2,4-dimethyl-3,7-dihydroindazole (PubChem CID 118133040) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,4-dimethyl-3,7-dihydroindazole.

Molecular Properties

Compound Name2,4-dimethyl-3,7-dihydroindazole
PubChem CID118133040
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,4-dimethyl-3,7-dihydroindazole
SMILESCC1=C2CN(C)N=C2CC=C1
InChIInChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-11(2)10-9/h3-4H,5-6H2,1-2H3
InChIKeyQKMQFVAVAZXVND-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,7-dihydroindazole?
The IUPAC name of 2,4-dimethyl-3,7-dihydroindazole (CID 118133040) is 2,4-dimethyl-3,7-dihydroindazole.
What is the SMILES notation for 2,4-dimethyl-3,7-dihydroindazole?
The canonical SMILES for 2,4-dimethyl-3,7-dihydroindazole is CC1=C2CN(C)N=C2CC=C1.
What is the InChIKey of 2,4-dimethyl-3,7-dihydroindazole?
The InChIKey is QKMQFVAVAZXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-11(2)10-9/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,7-dihydroindazole?
2,4-dimethyl-3,7-dihydroindazole has a molecular weight of 148.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,7-dihydroindazole is sourced from PubChem (CID 118133040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).