4-propyl-1,2-dihydroindazol-3-one

C10H12N2O — CID 175336398

IUPAC4-propyl-1,2-dihydroindazol-3-one
SMILESCCCc1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C10H12N2O/c1-2-4-7-5-3-6-8-9(7)10(13)12-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13)
InChIKeyFFSCBJCLKGZCOC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.81
Rot. Bonds2

About 4-propyl-1,2-dihydroindazol-3-one

4-propyl-1,2-dihydroindazol-3-one (PubChem CID 175336398) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-propyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-propyl-1,2-dihydroindazol-3-one
PubChem CID175336398
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-propyl-1,2-dihydroindazol-3-one
SMILESCCCc1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C10H12N2O/c1-2-4-7-5-3-6-8-9(7)10(13)12-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13)
InChIKeyFFSCBJCLKGZCOC-UHFFFAOYSA-N
XLogP1.81
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-1,2-dihydroindazol-3-one
CID 105432023
5-octyl-2,3-dihydrophthalazine-1,4-dione
CID 102273443
4-methyl-1,2-dihydroindazol-3-one
CID 24728231
4-bromo-1,2-dihydroindazol-3-one;ethane
CID 166096734
4-iodo-1,2-dihydroindazol-3-one
CID 24728222
5-hydroxy-3-propyl-1H-quinolin-2-one
CID 101272468
5-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 140789794
8-propyl-1H-quinolin-2-one
CID 10877864
phosphoric acid;3-propylbenzene-1,2-diol
CID 174603816
dimethyl-methylidene-[(3-propyl-1H-indol-4-yl)methyl]-λ5-phosphane
CID 167088322
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
2-methyl-8-propyl-2,3-dihydrochromen-4-one
CID 56613123

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2-dihydroindazol-3-one?
The IUPAC name of 4-propyl-1,2-dihydroindazol-3-one (CID 175336398) is 4-propyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-propyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-propyl-1,2-dihydroindazol-3-one is CCCc1cccc2[nH][nH]c(=O)c12.
What is the InChIKey of 4-propyl-1,2-dihydroindazol-3-one?
The InChIKey is FFSCBJCLKGZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-4-7-5-3-6-8-9(7)10(13)12-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13).
What are the key properties of 4-propyl-1,2-dihydroindazol-3-one?
4-propyl-1,2-dihydroindazol-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 175336398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).