4-[(1H-indazol-4-ylamino)methyl]benzoic acid

C15H13N3O2 — CID 65347537

IUPAC4-[(1H-indazol-4-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C15H13N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-2-1-3-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18)(H,19,20)
InChIKeyRSLHWJQANPWGEJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.87
Rot. Bonds4

About 4-[(1H-indazol-4-ylamino)methyl]benzoic acid

4-[(1H-indazol-4-ylamino)methyl]benzoic acid (PubChem CID 65347537) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[(1H-indazol-4-ylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(1H-indazol-4-ylamino)methyl]benzoic acid
PubChem CID65347537
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[(1H-indazol-4-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C15H13N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-2-1-3-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18)(H,19,20)
InChIKeyRSLHWJQANPWGEJ-UHFFFAOYSA-N
XLogP2.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indazol-4-ylamino)methyl]benzoic acid?
The IUPAC name of 4-[(1H-indazol-4-ylamino)methyl]benzoic acid (CID 65347537) is 4-[(1H-indazol-4-ylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(1H-indazol-4-ylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(1H-indazol-4-ylamino)methyl]benzoic acid is O=C(O)c1ccc(CNc2cccc3[nH]ncc23)cc1.
What is the InChIKey of 4-[(1H-indazol-4-ylamino)methyl]benzoic acid?
The InChIKey is RSLHWJQANPWGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-2-1-3-14-12(13)9-17-18-14/h1-7,9,16H,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(1H-indazol-4-ylamino)methyl]benzoic acid?
4-[(1H-indazol-4-ylamino)methyl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indazol-4-ylamino)methyl]benzoic acid is sourced from PubChem (CID 65347537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).