1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid

C15H15N3O3 — CID 19406229

IUPAC1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)C2CC2c2ccccc2)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-18-13(15(20)21)12(8-16-18)17-14(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyYUBHUDBEUCKZQJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.86
Rot. Bonds4

About 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid

1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid (PubChem CID 19406229) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid
PubChem CID19406229
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)C2CC2c2ccccc2)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-18-13(15(20)21)12(8-16-18)17-14(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyYUBHUDBEUCKZQJ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid (CID 19406229) is 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid is Cn1ncc(NC(=O)C2CC2c2ccccc2)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid?
The InChIKey is YUBHUDBEUCKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18-13(15(20)21)12(8-16-18)17-14(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid?
1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-phenylcyclopropanecarbonyl)amino]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19406229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).