4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one

C15H19N5O — CID 28965251

IUPAC4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
SMILESCc1nn(-c2ccccc2)c(N2CCNC(=O)C2)c1CN
InChIInChI=1S/C15H19N5O/c1-11-13(9-16)15(19-8-7-17-14(21)10-19)20(18-11)12-5-3-2-4-6-12/h2-6H,7-10,16H2,1H3,(H,17,21)
InChIKeySHWMZBIDAAESCA-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.58
Rot. Bonds3

About 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one

4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one (PubChem CID 28965251) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
PubChem CID28965251
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one
SMILESCc1nn(-c2ccccc2)c(N2CCNC(=O)C2)c1CN
InChIInChI=1S/C15H19N5O/c1-11-13(9-16)15(19-8-7-17-14(21)10-19)20(18-11)12-5-3-2-4-6-12/h2-6H,7-10,16H2,1H3,(H,17,21)
InChIKeySHWMZBIDAAESCA-UHFFFAOYSA-N
XLogP0.58
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
CID 61434843
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
3-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55681366
[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
CID 43542446
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-12-phenyl-1,4,8-triazacyclotetradecane-2,9-dione
CID 155918958
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
4-[4-(2-aminoethyl)phenyl]piperazin-2-one
CID 83822156
4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-1,4-diazepan-2-one
CID 65360969
4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 99989750
[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
CID 61226185

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one?
The IUPAC name of 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one (CID 28965251) is 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one is Cc1nn(-c2ccccc2)c(N2CCNC(=O)C2)c1CN.
What is the InChIKey of 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one?
The InChIKey is SHWMZBIDAAESCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-13(9-16)15(19-8-7-17-14(21)10-19)20(18-11)12-5-3-2-4-6-12/h2-6H,7-10,16H2,1H3,(H,17,21).
What are the key properties of 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one?
4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperazin-2-one is sourced from PubChem (CID 28965251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).