4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde

C8H10N2O — CID 28808664

IUPAC4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
SMILESO=Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,9,10)
InChIKeyBPKNULLUAAKXPC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.10
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde

4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde (PubChem CID 28808664) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
PubChem CID28808664
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
SMILESO=Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,9,10)
InChIKeyBPKNULLUAAKXPC-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 657436
4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 820033
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25161469
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-one
CID 57367068
5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25163411
3-(Difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one
CID 123229470
1-(1',1'-Difluorospiro[1,4,6,7-tetrahydroindazole-5,2'-cyclopropane]-3-yl)ethanone
CID 124178845
7H-Indazol-7-one, 1,4,5,6-tetrahydro-3-(trifluoromethyl)-
CID 129949085
1',1'-Difluorospiro[1,4,6,7-tetrahydroindazole-5,2'-cyclopropane]-3-carboxamide
CID 132183008
2'-Fluoro-2'-methylspiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-3-carboxamide
CID 132183106

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde (CID 28808664) is 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde is O=Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde?
The InChIKey is BPKNULLUAAKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,9,10).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde?
4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde is sourced from PubChem (CID 28808664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).