1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

C13H21N5O2 — CID 62075601

IUPAC1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCCc1[nH]nc(C(=O)N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H21N5O2/c1-3-4-10-11(14)12(16-15-10)13(20)18-7-5-17(6-8-18)9(2)19/h3-8,14H2,1-2H3,(H,15,16)
InChIKeySXGPGPYRHCLUIH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds3

About 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 62075601) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID62075601
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCCc1[nH]nc(C(=O)N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H21N5O2/c1-3-4-10-11(14)12(16-15-10)13(20)18-7-5-17(6-8-18)9(2)19/h3-8,14H2,1-2H3,(H,15,16)
InChIKeySXGPGPYRHCLUIH-UHFFFAOYSA-N
XLogP0.25
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66084844
(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172204
(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407210
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 62076260
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 62075601) is 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is CCCc1[nH]nc(C(=O)N2CCN(C(C)=O)CC2)c1N.
What is the InChIKey of 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SXGPGPYRHCLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-4-10-11(14)12(16-15-10)13(20)18-7-5-17(6-8-18)9(2)19/h3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62075601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).