4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C19H17F2N3O2 — CID 41412873

IUPAC4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-8-4-15(5-9-17)18(25)22-12-10-14-2-6-16(7-3-14)24-13-1-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25)
InChIKeyXPWVPIJNDHKVJX-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.45
Rot. Bonds7

About 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 41412873) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID41412873
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-8-4-15(5-9-17)18(25)22-12-10-14-2-6-16(7-3-14)24-13-1-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25)
InChIKeyXPWVPIJNDHKVJX-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31002817
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 41412873) is 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is XPWVPIJNDHKVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-19(21)26-17-8-4-15(5-9-17)18(25)22-12-10-14-2-6-16(7-3-14)24-13-1-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25).
What are the key properties of 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 41412873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).