7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid

C8H11N3O2 — CID 83906473

IUPAC7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cn[nH]c21
InChIInChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-5-4-10-11-6(5)8/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyKSRWBOFHPQPALH-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.02
Rot. Bonds1

About 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid

7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid (PubChem CID 83906473) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid
PubChem CID83906473
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cn[nH]c21
InChIInChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-5-4-10-11-6(5)8/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyKSRWBOFHPQPALH-UHFFFAOYSA-N
XLogP-0.02
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215
(S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 86330465
(R)-4,5,6,7-Tetrahydro-1H-indazole-5-carboxylic acid
CID 86330467

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid (CID 83906473) is 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid is NC1(C(=O)O)CCCc2cn[nH]c21.
What is the InChIKey of 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The InChIKey is KSRWBOFHPQPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-5-4-10-11-6(5)8/h4H,1-3,9H2,(H,10,11)(H,12,13).
What are the key properties of 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 83906473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).