1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid

C18H22N4O4 — CID 119206710

IUPAC1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C18H22N4O4/c1-18(2,3)17(26)19-10-8-15(23)20-12-6-4-5-7-14(12)22-11-9-13(21-22)16(24)25/h4-7,9,11H,8,10H2,1-3H3,(H,19,26)(H,20,23)(H,24,25)
InChIKeyZEIKNRYKPIZJIE-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.06
Rot. Bonds6

About 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid

1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 119206710) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
PubChem CID119206710
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C18H22N4O4/c1-18(2,3)17(26)19-10-8-15(23)20-12-6-4-5-7-14(12)22-11-9-13(21-22)16(24)25/h4-7,9,11H,8,10H2,1-3H3,(H,19,26)(H,20,23)(H,24,25)
InChIKeyZEIKNRYKPIZJIE-UHFFFAOYSA-N
XLogP2.06
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620
1-[2-(6-acetamidohexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206691
1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206732
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206679
1-[2-[(2-butoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 119206655
1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206628
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
ethyl 1-[2-[4-(methylamino)butanoylamino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779887
1-[2-(2-butylsulfanylpropanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206646
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylic acid
CID 43357944
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid (CID 119206710) is 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid is CC(C)(C)C(=O)NCCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is ZEIKNRYKPIZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(2,3)17(26)19-10-8-15(23)20-12-6-4-5-7-14(12)22-11-9-13(21-22)16(24)25/h4-7,9,11H,8,10H2,1-3H3,(H,19,26)(H,20,23)(H,24,25).
What are the key properties of 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 119206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).