5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid

C8H11N3O3 — CID 15679501

IUPAC5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)NC(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-4(2)10-7(12)6-5(8(13)14)3-9-11-6/h3-4H,1-2H3,(H,9,11)(H,10,12)(H,13,14)
InChIKeyBPGHCBWUTIHLOH-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.25
Rot. Bonds3

About 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid

5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 15679501) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID15679501
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)NC(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H11N3O3/c1-4(2)10-7(12)6-5(8(13)14)3-9-11-6/h3-4H,1-2H3,(H,9,11)(H,10,12)(H,13,14)
InChIKeyBPGHCBWUTIHLOH-UHFFFAOYSA-N
XLogP0.25
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid (CID 15679501) is 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid is CC(C)NC(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is BPGHCBWUTIHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)10-7(12)6-5(8(13)14)3-9-11-6/h3-4H,1-2H3,(H,9,11)(H,10,12)(H,13,14).
What are the key properties of 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid?
5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 15679501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).