5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

C14H14BrF2N3O2 — CID 19290636

IUPAC5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1
InChIInChI=1S/C14H14BrF2N3O2/c1-2-20-8-9(7-19-20)6-18-13(21)11-5-10(15)3-4-12(11)22-14(16)17/h3-5,7-8,14H,2,6H2,1H3,(H,18,21)
InChIKeyUSHVPRLGTPBQMQ-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.20
Rot. Bonds6

About 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290636) has the molecular formula C14H14BrF2N3O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
PubChem CID19290636
Molecular FormulaC14H14BrF2N3O2
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1
InChIInChI=1S/C14H14BrF2N3O2/c1-2-20-8-9(7-19-20)6-18-13(21)11-5-10(15)3-4-12(11)22-14(16)17/h3-5,7-8,14H,2,6H2,1H3,(H,18,21)
InChIKeyUSHVPRLGTPBQMQ-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
3-fluoro-2-methoxy-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 56748025
5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide
CID 170513368
(2-Methoxyphenyl)-(4-methylpyrazol-1-yl)methanone
CID 1246007
2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 50961096
(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 164642377
2-(Difluoromethoxy)-N-[(1-ethyl-1H-pyrazol-4-YL)methyl]benzamide
CID 4865583
N-[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide
CID 56967406
(5-Bromo-2-methoxyphenyl)-[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
CID 67157963
4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
CID 91346842
(3-Amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701374
5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide
CID 170513370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (CID 19290636) is 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is CCn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is USHVPRLGTPBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O2/c1-2-20-8-9(7-19-20)6-18-13(21)11-5-10(15)3-4-12(11)22-14(16)17/h3-5,7-8,14H,2,6H2,1H3,(H,18,21).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 374.19 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).