4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C17H21N5O2 — CID 118770158

IUPAC4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)17(24)19-15-11-18-20(2)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyVGRVMANQGLATEW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.98
Rot. Bonds3

About 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 118770158) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID118770158
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)17(24)19-15-11-18-20(2)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyVGRVMANQGLATEW-UHFFFAOYSA-N
XLogP1.98
TPSA70.47 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 56761915

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 118770158) is 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is VGRVMANQGLATEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(23)14-3-5-16(6-4-14)21-7-9-22(10-8-21)17(24)19-15-11-18-20(2)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24).
What are the key properties of 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118770158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).