N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide

C20H18FN3O2 — CID 155106413

IUPACN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)C1CCC1
InChIInChI=1S/C20H18FN3O2/c21-14-6-9-19(25)16(10-14)18-11-17(23-24-18)12-4-7-15(8-5-12)22-20(26)13-2-1-3-13/h4-11,13,25H,1-3H2,(H,22,26)(H,23,24)
InChIKeyDJWSBOBHEGPLTB-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.33
Rot. Bonds4

About N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide

N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide (PubChem CID 155106413) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
PubChem CID155106413
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)C1CCC1
InChIInChI=1S/C20H18FN3O2/c21-14-6-9-19(25)16(10-14)18-11-17(23-24-18)12-4-7-15(8-5-12)22-20(26)13-2-1-3-13/h4-11,13,25H,1-3H2,(H,22,26)(H,23,24)
InChIKeyDJWSBOBHEGPLTB-UHFFFAOYSA-N
XLogP4.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide 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-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155106365
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 26823723
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide (CID 155106413) is N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)C1CCC1.
What is the InChIKey of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is DJWSBOBHEGPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-14-6-9-19(25)16(10-14)18-11-17(23-24-18)12-4-7-15(8-5-12)22-20(26)13-2-1-3-13/h4-11,13,25H,1-3H2,(H,22,26)(H,23,24).
What are the key properties of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide?
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 351.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 155106413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).