3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid

C15H17N3O3 — CID 167262660

IUPAC3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
SMILESCCC(c1ccccc1)n1nc(C(=O)NC)cc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-12(10-7-5-4-6-8-10)18-13(15(20)21)9-11(17-18)14(19)16-2/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIZFVGEMHNWJKDL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds5

About 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid

3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid (PubChem CID 167262660) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
PubChem CID167262660
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
SMILESCCC(c1ccccc1)n1nc(C(=O)NC)cc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-12(10-7-5-4-6-8-10)18-13(15(20)21)9-11(17-18)14(19)16-2/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIZFVGEMHNWJKDL-UHFFFAOYSA-N
XLogP1.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid (CID 167262660) is 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid is CCC(c1ccccc1)n1nc(C(=O)NC)cc1C(=O)O.
What is the InChIKey of 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid?
The InChIKey is IZFVGEMHNWJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-12(10-7-5-4-6-8-10)18-13(15(20)21)9-11(17-18)14(19)16-2/h4-9,12H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid?
3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 167262660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).