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

C11H18N4O — CID 137429359

IUPAC2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O/c1-8(2)11(16)15-4-3-12-10(7-15)9-5-13-14-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyRTNLVMLLMZBSDZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds2

About 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one

2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 137429359) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID137429359
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O/c1-8(2)11(16)15-4-3-12-10(7-15)9-5-13-14-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyRTNLVMLLMZBSDZ-UHFFFAOYSA-N
XLogP0.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)piperazine
CID 131060075
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
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
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
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
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (CID 137429359) is 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCNC(c2cn[nH]c2)C1.
What is the InChIKey of 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is RTNLVMLLMZBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)11(16)15-4-3-12-10(7-15)9-5-13-14-6-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 137429359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).