4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid

C15H17N3O2 — CID 122032052

IUPAC4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CCCc3cn[nH]c32)cc1
InChIInChI=1S/C15H17N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-3-1-2-12-9-17-18-14(12)13/h4-7,9,13,16H,1-3,8H2,(H,17,18)(H,19,20)
InChIKeyASFYDOSWILYGGV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.28
Rot. Bonds4

About 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid

4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid (PubChem CID 122032052) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
PubChem CID122032052
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CCCc3cn[nH]c32)cc1
InChIInChI=1S/C15H17N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-3-1-2-12-9-17-18-14(12)13/h4-7,9,13,16H,1-3,8H2,(H,17,18)(H,19,20)
InChIKeyASFYDOSWILYGGV-UHFFFAOYSA-N
XLogP2.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
N-[(2,3-dichloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 166229001
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 166245754
(7S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 97321886

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid?
The IUPAC name of 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid (CID 122032052) is 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid is O=C(O)c1ccc(CNC2CCCc3cn[nH]c32)cc1.
What is the InChIKey of 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid?
The InChIKey is ASFYDOSWILYGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)11-6-4-10(5-7-11)8-16-13-3-1-2-12-9-17-18-14(12)13/h4-7,9,13,16H,1-3,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid?
4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid is sourced from PubChem (CID 122032052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).