4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid

C14H15N3O3 — CID 43211107

IUPAC4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-11(14(19)20)8-12(9)16-13(18)10(2)17-7-3-6-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20)
InChIKeyWISFDXACXRCBFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.09
Rot. Bonds4

About 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid

4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid (PubChem CID 43211107) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
PubChem CID43211107
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-11(14(19)20)8-12(9)16-13(18)10(2)17-7-3-6-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20)
InChIKeyWISFDXACXRCBFQ-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 42887736
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 134048539
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
3-[(3-carboxy-2-methylbutanoyl)amino]-4-methylbenzoic acid
CID 103497242
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
4-methyl-3-(2-methylsulfanylpropanoylamino)benzoic acid
CID 75416580
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid (CID 43211107) is 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)C(C)n1cccn1.
What is the InChIKey of 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
The InChIKey is WISFDXACXRCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-5-11(14(19)20)8-12(9)16-13(18)10(2)17-7-3-6-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid?
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 43211107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).