5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid

C10H14N4O4 — CID 19575278

IUPAC5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCn1ncc(NC(=O)CCCC(=O)O)c1C(N)=O
InChIInChI=1S/C10H14N4O4/c1-14-9(10(11)18)6(5-12-14)13-7(15)3-2-4-8(16)17/h5H,2-4H2,1H3,(H2,11,18)(H,13,15)(H,16,17)
InChIKeyCXDLCAPZEVECII-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.29
Rot. Bonds6

About 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid

5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid (PubChem CID 19575278) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid
PubChem CID19575278
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCn1ncc(NC(=O)CCCC(=O)O)c1C(N)=O
InChIInChI=1S/C10H14N4O4/c1-14-9(10(11)18)6(5-12-14)13-7(15)3-2-4-8(16)17/h5H,2-4H2,1H3,(H2,11,18)(H,13,15)(H,16,17)
InChIKeyCXDLCAPZEVECII-UHFFFAOYSA-N
XLogP-0.29
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid (CID 19575278) is 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid is Cn1ncc(NC(=O)CCCC(=O)O)c1C(N)=O.
What is the InChIKey of 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is CXDLCAPZEVECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14-9(10(11)18)6(5-12-14)13-7(15)3-2-4-8(16)17/h5H,2-4H2,1H3,(H2,11,18)(H,13,15)(H,16,17).
What are the key properties of 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid?
5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbamoyl-1-methylpyrazol-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 19575278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).