5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C9H13N3O2 — CID 105448866

IUPAC5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC(N)C2
InChIInChI=1S/C9H13N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyFUJAPEPQHWGJKO-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.07
Rot. Bonds1

About 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 105448866) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID105448866
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC(N)C2
InChIInChI=1S/C9H13N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyFUJAPEPQHWGJKO-UHFFFAOYSA-N
XLogP-0.07
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[4-(dimethylcarbamoyl)phenyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 177303010
ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 83854760
5-carbamoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 84689012
[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid;hydrochloride
CID 75465240
1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 167800615
5-methoxycarbonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 83919332
N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164639
1-ethyl-5-(ethylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56723540
1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 83917892
[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45162163

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 105448866) is 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCC(N)C2.
What is the InChIKey of 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is FUJAPEPQHWGJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h5H,2-4,10H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 105448866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).