3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide

C18H15F2N3O2 — CID 99625046

IUPAC3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(OC(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H15F2N3O2/c1-12-16(11-21-23(12)14-7-3-2-4-8-14)22-17(24)13-6-5-9-15(10-13)25-18(19)20/h2-11,18H,1H3,(H,22,24)
InChIKeyHBCUUHGWQDYPKR-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.03
Rot. Bonds5

About 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide

3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide (PubChem CID 99625046) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
PubChem CID99625046
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(OC(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H15F2N3O2/c1-12-16(11-21-23(12)14-7-3-2-4-8-14)22-17(24)13-6-5-9-15(10-13)25-18(19)20/h2-11,18H,1H3,(H,22,24)
InChIKeyHBCUUHGWQDYPKR-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468505
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
CID 99697779
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide (CID 99625046) is 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2cccc(OC(F)F)c2)cnn1-c1ccccc1.
What is the InChIKey of 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide?
The InChIKey is HBCUUHGWQDYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-12-16(11-21-23(12)14-7-3-2-4-8-14)22-17(24)13-6-5-9-15(10-13)25-18(19)20/h2-11,18H,1H3,(H,22,24).
What are the key properties of 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide?
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide has a molecular weight of 343.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 99625046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).