4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid

C15H19N3O2 — CID 114555287

IUPAC4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
SMILESCCCn1nccc1CNc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H19N3O2/c1-3-8-18-13(6-7-17-18)10-16-14-9-12(15(19)20)5-4-11(14)2/h4-7,9,16H,3,8,10H2,1-2H3,(H,19,20)
InChIKeyQGNDWYQIPSPHLQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.91
Rot. Bonds6

About 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid

4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid (PubChem CID 114555287) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
PubChem CID114555287
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
SMILESCCCn1nccc1CNc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H19N3O2/c1-3-8-18-13(6-7-17-18)10-16-14-9-12(15(19)20)5-4-11(14)2/h4-7,9,16H,3,8,10H2,1-2H3,(H,19,20)
InChIKeyQGNDWYQIPSPHLQ-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624653
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
CID 114555413
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
3-[(2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 43727465
4-methyl-3-[(2-methylphenyl)methylamino]benzoic acid
CID 17059873
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
methyl 4-amino-3-[(2-ethylpyrazol-3-yl)methylamino]benzoate
CID 174198225

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid (CID 114555287) is 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid is CCCn1nccc1CNc1cc(C(=O)O)ccc1C.
What is the InChIKey of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid?
The InChIKey is QGNDWYQIPSPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-18-13(6-7-17-18)10-16-14-9-12(15(19)20)5-4-11(14)2/h4-7,9,16H,3,8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid?
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid is sourced from PubChem (CID 114555287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).