4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid

C13H15N3O3 — CID 63743971

IUPAC4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H15N3O3/c1-8(10-5-6-14-16-10)15-11-7-9(13(17)18)3-4-12(11)19-2/h3-8,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyLRADIHROCMYGJC-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.29
Rot. Bonds5

About 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid

4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid (PubChem CID 63743971) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
PubChem CID63743971
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H15N3O3/c1-8(10-5-6-14-16-10)15-11-7-9(13(17)18)3-4-12(11)19-2/h3-8,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyLRADIHROCMYGJC-UHFFFAOYSA-N
XLogP2.29
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54968251
4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106757809
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
N,N,4-trimethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60972543
4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
CID 63742469
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid (CID 63743971) is 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid is COc1ccc(C(=O)O)cc1NC(C)c1ccn[nH]1.
What is the InChIKey of 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid?
The InChIKey is LRADIHROCMYGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(10-5-6-14-16-10)15-11-7-9(13(17)18)3-4-12(11)19-2/h3-8,15H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid?
4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid is sourced from PubChem (CID 63743971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).