2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid

C14H22N4O4 — CID 119230833

IUPAC2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C14H22N4O4/c1-3-17(4-2)13(20)7-5-6-12(19)15-11-8-9-18(16-11)10-14(21)22/h8-9H,3-7,10H2,1-2H3,(H,21,22)(H,15,16,19)
InChIKeyPPQVSRVWYBPBIK-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.94
Rot. Bonds9

About 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230833) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230833
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C14H22N4O4/c1-3-17(4-2)13(20)7-5-6-12(19)15-11-8-9-18(16-11)10-14(21)22/h8-9H,3-7,10H2,1-2H3,(H,21,22)(H,15,16,19)
InChIKeyPPQVSRVWYBPBIK-UHFFFAOYSA-N
XLogP0.94
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
2-[3-[4-(2-chlorophenoxy)butanoylamino]pyrazol-1-yl]acetic acid
CID 119230619
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
2-[3-[(2-ethoxycyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230729

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid (CID 119230833) is 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid is CCN(CC)C(=O)CCCC(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is PPQVSRVWYBPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-3-17(4-2)13(20)7-5-6-12(19)15-11-8-9-18(16-11)10-14(21)22/h8-9H,3-7,10H2,1-2H3,(H,21,22)(H,15,16,19).
What are the key properties of 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).