2-[3-(methylamino)-1H-indazol-5-yl]acetic acid

C10H11N3O2 — CID 174746431

IUPAC2-[3-(methylamino)-1H-indazol-5-yl]acetic acid
SMILESCNc1n[nH]c2ccc(CC(=O)O)cc12
InChIInChI=1S/C10H11N3O2/c1-11-10-7-4-6(5-9(14)15)2-3-8(7)12-13-10/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyDVYMRJSPKYYONF-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.23
Rot. Bonds3

About 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid

2-[3-(methylamino)-1H-indazol-5-yl]acetic acid (PubChem CID 174746431) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methylamino)-1H-indazol-5-yl]acetic acid
PubChem CID174746431
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[3-(methylamino)-1H-indazol-5-yl]acetic acid
SMILESCNc1n[nH]c2ccc(CC(=O)O)cc12
InChIInChI=1S/C10H11N3O2/c1-11-10-7-4-6(5-9(14)15)2-3-8(7)12-13-10/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyDVYMRJSPKYYONF-UHFFFAOYSA-N
XLogP1.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-1H-indazol-3-amine
CID 18679264
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
2-(1H-indazol-5-yl)acetic acid
CID 39103838
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198
2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
CID 142656167
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid
CID 141064739
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid (CID 174746431) is 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid is CNc1n[nH]c2ccc(CC(=O)O)cc12.
What is the InChIKey of 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid?
The InChIKey is DVYMRJSPKYYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-10-7-4-6(5-9(14)15)2-3-8(7)12-13-10/h2-4H,5H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid?
2-[3-(methylamino)-1H-indazol-5-yl]acetic acid has a molecular weight of 205.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)-1H-indazol-5-yl]acetic acid is sourced from PubChem (CID 174746431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).