1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile

C22H21N5O — CID 118526559

IUPAC1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C22H21N5O/c23-14-19-15-24-27(17-19)22(28)26-12-10-25(11-13-26)16-18-6-8-21(9-7-18)20-4-2-1-3-5-20/h1-9,15,17H,10-13,16H2
InChIKeyLEBGEOOMHBZHNF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.21
Rot. Bonds3

About 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile

1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile (PubChem CID 118526559) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
PubChem CID118526559
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C22H21N5O/c23-14-19-15-24-27(17-19)22(28)26-12-10-25(11-13-26)16-18-6-8-21(9-7-18)20-4-2-1-3-5-20/h1-9,15,17H,10-13,16H2
InChIKeyLEBGEOOMHBZHNF-UHFFFAOYSA-N
XLogP3.21
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
1-[4-(Naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526557
(4-Iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526966
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
1-(4-Benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526834
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
1-[4-(Dinaphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155557420

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile (CID 118526559) is 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is LEBGEOOMHBZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-14-19-15-24-27(17-19)22(28)26-12-10-25(11-13-26)16-18-6-8-21(9-7-18)20-4-2-1-3-5-20/h1-9,15,17H,10-13,16H2.
What are the key properties of 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile?
1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 118526559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).