2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid

C22H24N4O2 — CID 174492716

IUPAC2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid
SMILESNCc1ccccc1-n1nc(C2CCCC2)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C22H24N4O2/c23-14-16-9-3-6-12-20(16)26-21(13-19(25-26)15-7-1-2-8-15)24-18-11-5-4-10-17(18)22(27)28/h3-6,9-13,15,24H,1-2,7-8,14,23H2,(H,27,28)
InChIKeyGGYKXLWIYVCKNX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.43
Rot. Bonds6

About 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid

2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid (PubChem CID 174492716) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid
PubChem CID174492716
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid
SMILESNCc1ccccc1-n1nc(C2CCCC2)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C22H24N4O2/c23-14-16-9-3-6-12-20(16)26-21(13-19(25-26)15-7-1-2-8-15)24-18-11-5-4-10-17(18)22(27)28/h3-6,9-13,15,24H,1-2,7-8,14,23H2,(H,27,28)
InChIKeyGGYKXLWIYVCKNX-UHFFFAOYSA-N
XLogP4.43
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-tert-butyl-1-(2-ethylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276574
2-[[1-[2-(aminomethyl)phenyl]-3-(2-methoxyphenyl)pyrazol-5-yl]amino]-4-fluorobenzoic acid
CID 174492670
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
2-[4-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetic acid
CID 11583682
2-[[1-[2-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]amino]benzenesulfonamide
CID 174572060
6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
CID 130447771
1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane
CID 175243310
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 78830494
2-[2-(2-hydroxyethyl)anilino]benzoic acid
CID 10956213
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid?
The IUPAC name of 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid (CID 174492716) is 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid?
The canonical SMILES for 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid is NCc1ccccc1-n1nc(C2CCCC2)cc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid?
The InChIKey is GGYKXLWIYVCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-14-16-9-3-6-12-20(16)26-21(13-19(25-26)15-7-1-2-8-15)24-18-11-5-4-10-17(18)22(27)28/h3-6,9-13,15,24H,1-2,7-8,14,23H2,(H,27,28).
What are the key properties of 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid?
2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid is sourced from PubChem (CID 174492716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).