3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C10H15N3O3 — CID 43565421

IUPAC3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCNC(=O)C(C)n1nc(C)c(C(=O)O)c1C
InChIInChI=1S/C10H15N3O3/c1-5-8(10(15)16)6(2)13(12-5)7(3)9(14)11-4/h7H,1-4H3,(H,11,14)(H,15,16)
InChIKeyZSWBOCCYZOIPPE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.51
Rot. Bonds3

About 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 43565421) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID43565421
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCNC(=O)C(C)n1nc(C)c(C(=O)O)c1C
InChIInChI=1S/C10H15N3O3/c1-5-8(10(15)16)6(2)13(12-5)7(3)9(14)11-4/h7H,1-4H3,(H,11,14)(H,15,16)
InChIKeyZSWBOCCYZOIPPE-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-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

2-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294462
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
CID 94133466
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide
CID 43116762
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
CID 43116774
(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 7017609
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 17024617
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide
CID 43116783
(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 118777150
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110478911
2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294632
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 43565421) is 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is CNC(=O)C(C)n1nc(C)c(C(=O)O)c1C.
What is the InChIKey of 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is ZSWBOCCYZOIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-8(10(15)16)6(2)13(12-5)7(3)9(14)11-4/h7H,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).