2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid

C10H15N3O2 — CID 112716308

IUPAC2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid
SMILESNCC1(CC(=O)O)CCCc2cn[nH]c21
InChIInChI=1S/C10H15N3O2/c11-6-10(4-8(14)15)3-1-2-7-5-12-13-9(7)10/h5H,1-4,6,11H2,(H,12,13)(H,14,15)
InChIKeyGOEZYNTXNRRSOC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.42
Rot. Bonds3

About 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid

2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid (PubChem CID 112716308) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid
PubChem CID112716308
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid
SMILESNCC1(CC(=O)O)CCCc2cn[nH]c21
InChIInChI=1S/C10H15N3O2/c11-6-10(4-8(14)15)3-1-2-7-5-12-13-9(7)10/h5H,1-4,6,11H2,(H,12,13)(H,14,15)
InChIKeyGOEZYNTXNRRSOC-UHFFFAOYSA-N
XLogP0.42
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.42
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
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
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
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
1-(3-tert-butyl-1H-pyrazol-4-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 165718425
1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclohexane-1-carboxylic acid
CID 165838844
(S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 86330465

Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid?
The IUPAC name of 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid (CID 112716308) is 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid.
What is the SMILES notation for 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid?
The canonical SMILES for 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid is NCC1(CC(=O)O)CCCc2cn[nH]c21.
What is the InChIKey of 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid?
The InChIKey is GOEZYNTXNRRSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-6-10(4-8(14)15)3-1-2-7-5-12-13-9(7)10/h5H,1-4,6,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid?
2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)-1,4,5,6-tetrahydroindazol-7-yl]acetic acid is sourced from PubChem (CID 112716308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).