3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid

C15H15N3O3 — CID 10636869

IUPAC3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)NC2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-9-12(15(20)21)13(14(19)16-10-7-8-10)17-18(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyJSQDZYLPVDJBNZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.77
Rot. Bonds4

About 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid

3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid (PubChem CID 10636869) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid
PubChem CID10636869
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)NC2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-9-12(15(20)21)13(14(19)16-10-7-8-10)17-18(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyJSQDZYLPVDJBNZ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid (CID 10636869) is 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(C(=O)NC2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is JSQDZYLPVDJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-12(15(20)21)13(14(19)16-10-7-8-10)17-18(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid?
3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 10636869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).