1-methyl-6,7-dihydro-5H-indazol-4-one

C8H10N2O — CID 2765796

IUPAC1-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCn1ncc2c1CCCC2=O
InChIInChI=1S/C8H10N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5H,2-4H2,1H3
InChIKeyPWZFWKUHDMFIAL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.94
Rot. Bonds

About 1-methyl-6,7-dihydro-5H-indazol-4-one

1-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 2765796) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID2765796
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCn1ncc2c1CCCC2=O
InChIInChI=1S/C8H10N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5H,2-4H2,1H3
InChIKeyPWZFWKUHDMFIAL-UHFFFAOYSA-N
XLogP0.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-methyl-6,7-dihydro-5H-indazol-4-one (CID 2765796) is 1-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-methyl-6,7-dihydro-5H-indazol-4-one is Cn1ncc2c1CCCC2=O.
What is the InChIKey of 1-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is PWZFWKUHDMFIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-6,7-dihydro-5H-indazol-4-one?
1-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 150.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 2765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).