4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide

C19H16BrF2N3O3 — CID 4865482

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)ccc1OC(F)F
InChIInChI=1S/C19H16BrF2N3O3/c1-27-17-8-15(6-7-16(17)28-19(21)22)24-18(26)13-4-2-12(3-5-13)10-25-11-14(20)9-23-25/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyFGDLOKUVFJHKAV-UHFFFAOYSA-N
MW452.26 g/mol
LogP4.56
Rot. Bonds7

About 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide (PubChem CID 4865482) has the molecular formula C19H16BrF2N3O3 and a molecular weight of 452.26 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide
PubChem CID4865482
Molecular FormulaC19H16BrF2N3O3
Molecular Weight452.26 g/mol
Exact Mass451.03
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)ccc1OC(F)F
InChIInChI=1S/C19H16BrF2N3O3/c1-27-17-8-15(6-7-16(17)28-19(21)22)24-18(26)13-4-2-12(3-5-13)10-25-11-14(20)9-23-25/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyFGDLOKUVFJHKAV-UHFFFAOYSA-N
XLogP4.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide (CID 4865482) is 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)ccc1OC(F)F.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide?
The InChIKey is FGDLOKUVFJHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O3/c1-27-17-8-15(6-7-16(17)28-19(21)22)24-18(26)13-4-2-12(3-5-13)10-25-11-14(20)9-23-25/h2-9,11,19H,10H2,1H3,(H,24,26).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide has a molecular weight of 452.26 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 4865482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).