4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

C17H21N5O2 — CID 51084104

IUPAC4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H21N5O2/c1-14(23)20-7-9-21(10-8-20)17(24)18-11-15-12-19-22(13-15)16-5-3-2-4-6-16/h2-6,12-13H,7-11H2,1H3,(H,18,24)
InChIKeyONTLJMYSKRIEPV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.25
Rot. Bonds3

About 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 51084104) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID51084104
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H21N5O2/c1-14(23)20-7-9-21(10-8-20)17(24)18-11-15-12-19-22(13-15)16-5-3-2-4-6-16/h2-6,12-13H,7-11H2,1H3,(H,18,24)
InChIKeyONTLJMYSKRIEPV-UHFFFAOYSA-N
XLogP1.25
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 86970075
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide (CID 51084104) is 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is ONTLJMYSKRIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-14(23)20-7-9-21(10-8-20)17(24)18-11-15-12-19-22(13-15)16-5-3-2-4-6-16/h2-6,12-13H,7-11H2,1H3,(H,18,24).
What are the key properties of 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 51084104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).