1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone

C17H21N5O2 — CID 110121762

IUPAC1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1
InChIInChI=1S/C17H21N5O2/c1-13(23)20-6-8-21(9-7-20)17(24)15-4-2-3-5-16(15)22-12-14(10-18)11-19-22/h2-5,11-12H,6-10,18H2,1H3
InChIKeyVNCBWQCVYXXJAD-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.64
Rot. Bonds3

About 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 110121762) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
PubChem CID110121762
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1
InChIInChI=1S/C17H21N5O2/c1-13(23)20-6-8-21(9-7-20)17(24)15-4-2-3-5-16(15)22-12-14(10-18)11-19-22/h2-5,11-12H,6-10,18H2,1H3
InChIKeyVNCBWQCVYXXJAD-UHFFFAOYSA-N
XLogP0.64
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide
CID 110121733
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137338007
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid
CID 66938119
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 84785993
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone
CID 61035945
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202211
N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone (CID 110121762) is 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1.
What is the InChIKey of 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is VNCBWQCVYXXJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(23)20-6-8-21(9-7-20)17(24)15-4-2-3-5-16(15)22-12-14(10-18)11-19-22/h2-5,11-12H,6-10,18H2,1H3.
What are the key properties of 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110121762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).