1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid

C10H15N3O3 — CID 102533846

IUPAC1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1NC(=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-5(2)9(14)11-8-6(3)7(10(15)16)12-13(8)4/h5H,1-4H3,(H,11,14)(H,15,16)
InChIKeyHLJQYEXDLVQHJV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.02
Rot. Bonds3

About 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid

1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid (PubChem CID 102533846) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
PubChem CID102533846
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1NC(=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-5(2)9(14)11-8-6(3)7(10(15)16)12-13(8)4/h5H,1-4H3,(H,11,14)(H,15,16)
InChIKeyHLJQYEXDLVQHJV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
CID 102533847
1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 105450095
5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110478911
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
2-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 127254459
4-bromo-1-methyl-5-propan-2-ylpyrazole-3-carboxylic acid
CID 62269242
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazole-3-carboxylic acid
CID 154037045
N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
CID 162759817
1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid
CID 73055557

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid (CID 102533846) is 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C)c1NC(=O)C(C)C.
What is the InChIKey of 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid?
The InChIKey is HLJQYEXDLVQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(2)9(14)11-8-6(3)7(10(15)16)12-13(8)4/h5H,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid?
1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid is sourced from PubChem (CID 102533846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).