1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one

C10H16N4O — CID 129259501

IUPAC1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O/c1-2-10(15)14-4-3-11-9(7-14)8-5-12-13-6-8/h5-6,9,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyJTYDOPMEOHFWIH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.29
Rot. Bonds2

About 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one

1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 129259501) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID129259501
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O/c1-2-10(15)14-4-3-11-9(7-14)8-5-12-13-6-8/h5-6,9,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyJTYDOPMEOHFWIH-UHFFFAOYSA-N
XLogP0.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)piperazine
CID 131060075
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (CID 129259501) is 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCNC(c2cn[nH]c2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JTYDOPMEOHFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-10(15)14-4-3-11-9(7-14)8-5-12-13-6-8/h5-6,9,11H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 129259501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).