4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide

C20H20FN5O — CID 138674452

IUPAC4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H20FN5O/c21-19-4-2-1-3-18(19)15-5-7-17(8-6-15)25-9-11-26(12-10-25)20(27)24-16-13-22-23-14-16/h1-8,13-14H,9-12H2,(H,22,23)(H,24,27)
InChIKeyTUYOKCRAAOMDCD-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.57
Rot. Bonds3

About 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide

4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 138674452) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
PubChem CID138674452
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1
InChIInChI=1S/C20H20FN5O/c21-19-4-2-1-3-18(19)15-5-7-17(8-6-15)25-9-11-26(12-10-25)20(27)24-16-13-22-23-14-16/h1-8,13-14H,9-12H2,(H,22,23)(H,24,27)
InChIKeyTUYOKCRAAOMDCD-UHFFFAOYSA-N
XLogP3.57
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide 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-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 138674290
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 167907588
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide (CID 138674452) is 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide is O=C(Nc1cn[nH]c1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is TUYOKCRAAOMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-19-4-2-1-3-18(19)15-5-7-17(8-6-15)25-9-11-26(12-10-25)20(27)24-16-13-22-23-14-16/h1-8,13-14H,9-12H2,(H,22,23)(H,24,27).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide?
4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-N-(1H-pyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138674452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).