4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid

C14H17N3O3 — CID 106757809

IUPAC4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)c1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-9(12-6-7-15-17(12)2)16-11-8-10(14(18)19)4-5-13(11)20-3/h4-9,16H,1-3H3,(H,18,19)
InChIKeyWMMVEDSPZCOQRO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.30
Rot. Bonds5

About 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid

4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid (PubChem CID 106757809) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid
PubChem CID106757809
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)c1ccnn1C
InChIInChI=1S/C14H17N3O3/c1-9(12-6-7-15-17(12)2)16-11-8-10(14(18)19)4-5-13(11)20-3/h4-9,16H,1-3H3,(H,18,19)
InChIKeyWMMVEDSPZCOQRO-UHFFFAOYSA-N
XLogP2.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
CID 63743971
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
3-chloro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756808
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
CID 63742469
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
2-bromo-5-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757879
methyl 3-methyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]butanoate
CID 106757059
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
4,5-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 106757744
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid (CID 106757809) is 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid is COc1ccc(C(=O)O)cc1NC(C)c1ccnn1C.
What is the InChIKey of 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid?
The InChIKey is WMMVEDSPZCOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(12-6-7-15-17(12)2)16-11-8-10(14(18)19)4-5-13(11)20-3/h4-9,16H,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid?
4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid is sourced from PubChem (CID 106757809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).