2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C14H15N3O3 — CID 19488055

IUPAC2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)n2nccc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)16-13(18)10(2)17-12(14(19)20)7-8-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20)
InChIKeyLFYGBCZFXOWVRB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19488055) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19488055
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)n2nccc2C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)16-13(18)10(2)17-12(14(19)20)7-8-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20)
InChIKeyLFYGBCZFXOWVRB-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

2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19487885
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489681
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
2-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489807
2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 82201976
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19488055) is 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is Cc1ccc(NC(=O)C(C)n2nccc2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is LFYGBCZFXOWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)16-13(18)10(2)17-12(14(19)20)7-8-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic 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 2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19488055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).