4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid

C9H13N3O2 — CID 83907788

IUPAC4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCn1ncc2c1CCCC2(N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-12-7-3-2-4-9(10,8(13)14)6(7)5-11-12/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyKEOAEJKQPRGGMG-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds1

About 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid

4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid (PubChem CID 83907788) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
PubChem CID83907788
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCn1ncc2c1CCCC2(N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-12-7-3-2-4-9(10,8(13)14)6(7)5-11-12/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyKEOAEJKQPRGGMG-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
2-fluoro-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 165493391
1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 165677939
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclohexane-1-carboxylic acid
CID 165754800
1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]cyclohexane-1-carboxylic acid
CID 165836250

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The IUPAC name of 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid (CID 83907788) is 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The canonical SMILES for 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid is Cn1ncc2c1CCCC2(N)C(=O)O.
What is the InChIKey of 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The InChIKey is KEOAEJKQPRGGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7-3-2-4-9(10,8(13)14)6(7)5-11-12/h5H,2-4,10H2,1H3,(H,13,14).
What are the key properties of 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid is sourced from PubChem (CID 83907788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).