4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

C19H14F5N3O3 — CID 26725553

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1OC(F)F
InChIInChI=1S/C19H14F5N3O3/c1-29-16-9-11(3-6-15(16)30-18(20)21)17(28)26-13-10-12(19(22,23)24)4-5-14(13)27-8-2-7-25-27/h2-10,18H,1H3,(H,26,28)
InChIKeyOZUIQJXHWHSPGQ-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.75
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 26725553) has the molecular formula C19H14F5N3O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID26725553
Molecular FormulaC19H14F5N3O3
Molecular Weight427.33 g/mol
Exact Mass427.10
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1OC(F)F
InChIInChI=1S/C19H14F5N3O3/c1-29-16-9-11(3-6-15(16)30-18(20)21)17(28)26-13-10-12(19(22,23)24)4-5-14(13)27-8-2-7-25-27/h2-10,18H,1H3,(H,26,28)
InChIKeyOZUIQJXHWHSPGQ-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
3-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 38079555
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 26725553) is 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OZUIQJXHWHSPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O3/c1-29-16-9-11(3-6-15(16)30-18(20)21)17(28)26-13-10-12(19(22,23)24)4-5-14(13)27-8-2-7-25-27/h2-10,18H,1H3,(H,26,28).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26725553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).