1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide

C22H22FN3O — CID 34001762

IUPAC1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H22FN3O/c23-19-5-1-4-18(16-19)22(11-2-12-22)21(27)24-14-10-17-6-8-20(9-7-17)26-15-3-13-25-26/h1,3-9,13,15-16H,2,10-12,14H2,(H,24,27)
InChIKeyDNTUSRLAIAJNPC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.79
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 34001762) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID34001762
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H22FN3O/c23-19-5-1-4-18(16-19)22(11-2-12-22)21(27)24-14-10-17-6-8-20(9-7-17)26-15-3-13-25-26/h1,3-9,13,15-16H,2,10-12,14H2,(H,24,27)
InChIKeyDNTUSRLAIAJNPC-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-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

N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 78810305
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111395578
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419
1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide (CID 34001762) is 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is DNTUSRLAIAJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-5-1-4-18(16-19)22(11-2-12-22)21(27)24-14-10-17-6-8-20(9-7-17)26-15-3-13-25-26/h1,3-9,13,15-16H,2,10-12,14H2,(H,24,27).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 34001762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).