3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C12H15N5O3 — CID 19498313

IUPAC3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1ncc(NC(=O)c2nn(C)cc2C(=O)O)c1C
InChIInChI=1S/C12H15N5O3/c1-4-17-7(2)9(5-13-17)14-11(18)10-8(12(19)20)6-16(3)15-10/h5-6H,4H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyKPRVXQFAYLHIOI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.90
Rot. Bonds4

About 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19498313) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19498313
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1ncc(NC(=O)c2nn(C)cc2C(=O)O)c1C
InChIInChI=1S/C12H15N5O3/c1-4-17-7(2)9(5-13-17)14-11(18)10-8(12(19)20)6-16(3)15-10/h5-6H,4H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyKPRVXQFAYLHIOI-UHFFFAOYSA-N
XLogP0.90
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19498313) is 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCn1ncc(NC(=O)c2nn(C)cc2C(=O)O)c1C.
What is the InChIKey of 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is KPRVXQFAYLHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-17-7(2)9(5-13-17)14-11(18)10-8(12(19)20)6-16(3)15-10/h5-6H,4H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19498313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).