2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid

C15H17N3O3 — CID 119201770

IUPAC2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cc(C)[nH]n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-15(14(20)21,11-7-5-4-6-8-11)16-13(19)12-9-10(2)17-18-12/h4-9H,3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBZZAZGGXURLARP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.84
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid

2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid (PubChem CID 119201770) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
PubChem CID119201770
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cc(C)[nH]n1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-3-15(14(20)21,11-7-5-4-6-8-11)16-13(19)12-9-10(2)17-18-12/h4-9H,3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBZZAZGGXURLARP-UHFFFAOYSA-N
XLogP1.84
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid (CID 119201770) is 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid is CCC(NC(=O)c1cc(C)[nH]n1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid?
The InChIKey is BZZAZGGXURLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-15(14(20)21,11-7-5-4-6-8-11)16-13(19)12-9-10(2)17-18-12/h4-9H,3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid?
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).