4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide

C22H22N6O — CID 51116517

IUPAC4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)cc1
InChIInChI=1S/C22H22N6O/c23-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)22(29)25-20-4-1-2-5-21(20)28-11-3-10-24-28/h1-11H,12-15,17H2,(H,25,29)
InChIKeyAPECJQHIZCDXRJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide

4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 51116517) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID51116517
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)cc1
InChIInChI=1S/C22H22N6O/c23-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)22(29)25-20-4-1-2-5-21(20)28-11-3-10-24-28/h1-11H,12-15,17H2,(H,25,29)
InChIKeyAPECJQHIZCDXRJ-UHFFFAOYSA-N
XLogP3.09
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide
CID 166397759
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
4-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-carboxamide
CID 55457532
4-[[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 27755112
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
4-[[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 39322161

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide (CID 51116517) is 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide is N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is APECJQHIZCDXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-16-18-6-8-19(9-7-18)17-26-12-14-27(15-13-26)22(29)25-20-4-1-2-5-21(20)28-11-3-10-24-28/h1-11H,12-15,17H2,(H,25,29).
What are the key properties of 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51116517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).