6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid

C11H16N4O4 — CID 60809333

IUPAC6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
SMILESCn1ccc(NC(=O)NC(=O)CCCCC(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-15-7-6-8(14-15)12-11(19)13-9(16)4-2-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyCLBQOEXQFUJFID-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.71
Rot. Bonds6

About 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid

6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid (PubChem CID 60809333) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
PubChem CID60809333
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
SMILESCn1ccc(NC(=O)NC(=O)CCCCC(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-15-7-6-8(14-15)12-11(19)13-9(16)4-2-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyCLBQOEXQFUJFID-UHFFFAOYSA-N
XLogP0.71
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 65299935
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid (CID 60809333) is 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid is Cn1ccc(NC(=O)NC(=O)CCCCC(=O)O)n1.
What is the InChIKey of 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid?
The InChIKey is CLBQOEXQFUJFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-15-7-6-8(14-15)12-11(19)13-9(16)4-2-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19).
What are the key properties of 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid?
6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 60809333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).