5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid

C15H17N3O3 — CID 2815262

IUPAC5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid
SMILESCn1nc(-c2ccccc2)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C15H17N3O3/c1-18-13(16-14(19)8-5-9-15(20)21)10-12(17-18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyHDHPDGZOFKPDEK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds6

About 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid

5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid (PubChem CID 2815262) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid
PubChem CID2815262
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid
SMILESCn1nc(-c2ccccc2)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C15H17N3O3/c1-18-13(16-14(19)8-5-9-15(20)21)10-12(17-18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyHDHPDGZOFKPDEK-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid (CID 2815262) is 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid is Cn1nc(-c2ccccc2)cc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid?
The InChIKey is HDHPDGZOFKPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-13(16-14(19)8-5-9-15(20)21)10-12(17-18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid?
5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-3-phenylpyrazol-5-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 2815262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).