4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

C17H21N5O2 — CID 51084960

IUPAC4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)14-2-4-16(5-3-14)21-8-10-22(11-9-21)17(24)18-12-15-6-7-19-20-15/h2-7H,8-12H2,1H3,(H,18,24)(H,19,20)
InChIKeyTUTKTQYCICSJFM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084960) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID51084960
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)14-2-4-16(5-3-14)21-8-10-22(11-9-21)17(24)18-12-15-6-7-19-20-15/h2-7H,8-12H2,1H3,(H,18,24)(H,19,20)
InChIKeyTUTKTQYCICSJFM-UHFFFAOYSA-N
XLogP1.64
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
CID 134540391
N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide
CID 3241848
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
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CID 53317611
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide
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CID 54587245
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654866
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
2-[4-(1H-pyrazol-3-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (CID 51084960) is 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is TUTKTQYCICSJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(23)14-2-4-16(5-3-14)21-8-10-22(11-9-21)17(24)18-12-15-6-7-19-20-15/h2-7H,8-12H2,1H3,(H,18,24)(H,19,20).
What are the key properties of 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).