2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one

C12H20N2O — CID 90162079

IUPAC2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
SMILESCCn1c(=O)c2c(n1C(C)C)CCCC2
InChIInChI=1S/C12H20N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyVFBJBOKVSWVEID-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.13
Rot. Bonds2

About 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one

2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one (PubChem CID 90162079) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one.

Molecular Properties

Compound Name2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
PubChem CID90162079
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
SMILESCCn1c(=O)c2c(n1C(C)C)CCCC2
InChIInChI=1S/C12H20N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyVFBJBOKVSWVEID-UHFFFAOYSA-N
XLogP2.13
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethyl-1,2,4,5,6,7-hexahydro-indazol-3-one
CID 13613869
1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 21822432
2-propan-2-yl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 58540446
2-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66022116
1-pentyl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 68129033
3-Propan-2-yl-1,2,4,5,7,8,9,10-octahydro-[1,2,5]triazepino[1,2-a]indazol-11-one
CID 68187268
2-Pentyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-one
CID 70573028
2-pentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 70614749
6-methyl-2-pentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 70631093
2-(2-ethyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetic acid
CID 71186933
2-Methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
CID 90162063
2-Ethyl-1-methyl-4,5,6,7-tetrahydroindazol-3-one
CID 90167945

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The IUPAC name of 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one (CID 90162079) is 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one.
What is the SMILES notation for 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The canonical SMILES for 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one is CCn1c(=O)c2c(n1C(C)C)CCCC2.
What is the InChIKey of 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The InChIKey is VFBJBOKVSWVEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14(13)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one has a molecular weight of 208.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one is sourced from PubChem (CID 90162079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).