2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid

C11H16N4O3 — CID 62317788

IUPAC2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H16N4O3/c1-8(11(17)18)14-4-6-15(7-5-14)10(16)9-2-3-12-13-9/h2-3,8H,4-7H2,1H3,(H,12,13)(H,17,18)
InChIKeyVJSIRSIFMVHRTP-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.36
Rot. Bonds3

About 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317788) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317788
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H16N4O3/c1-8(11(17)18)14-4-6-15(7-5-14)10(16)9-2-3-12-13-9/h2-3,8H,4-7H2,1H3,(H,12,13)(H,17,18)
InChIKeyVJSIRSIFMVHRTP-UHFFFAOYSA-N
XLogP-0.36
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 171622128
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 62317788) is 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is VJSIRSIFMVHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(11(17)18)14-4-6-15(7-5-14)10(16)9-2-3-12-13-9/h2-3,8H,4-7H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).