N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide

C20H17Cl2F2N3O2 — CID 1000315

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide
SMILESCc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H17Cl2F2N3O2/c1-11-18(25-19(28)14-5-3-4-6-17(14)29-20(23)24)12(2)27(26-11)10-13-7-8-15(21)16(22)9-13/h3-9,20H,10H2,1-2H3,(H,25,28)
InChIKeyFOKMUVCQRYHNOE-UHFFFAOYSA-N
MW440.28 g/mol
LogP5.71
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide

N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide (PubChem CID 1000315) has the molecular formula C20H17Cl2F2N3O2 and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide
PubChem CID1000315
Molecular FormulaC20H17Cl2F2N3O2
Molecular Weight440.28 g/mol
Exact Mass439.07
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide
SMILESCc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H17Cl2F2N3O2/c1-11-18(25-19(28)14-5-3-4-6-17(14)29-20(23)24)12(2)27(26-11)10-13-7-8-15(21)16(22)9-13/h3-9,20H,10H2,1-2H3,(H,25,28)
InChIKeyFOKMUVCQRYHNOE-UHFFFAOYSA-N
XLogP5.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448560
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2,6-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448561
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(3-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448562
5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 887885
5-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 842012
2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide
CID 47006971
5-chloro-2-methoxy-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808028
N-[(4-Chlorophenyl)methyl]-5-(2-methoxybenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-3-carboxamide
CID 53066493
(11R)-12-(3,4-dichlorobenzoyl)-4-[[2-(difluoromethoxy)-5-fluoro-phenyl]methyl]-11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366463
(11R)-12-(3,4-dichlorobenzoyl)-4-[[2-(difluoromethoxy)phenyl]methyl]-11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366697
(11R)-12-(3,4-dichlorobenzoyl)-4-[(2-fluoro-6-methoxy-phenyl)methyl]-11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366718

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide (CID 1000315) is N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide is Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide?
The InChIKey is FOKMUVCQRYHNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F2N3O2/c1-11-18(25-19(28)14-5-3-4-6-17(14)29-20(23)24)12(2)27(26-11)10-13-7-8-15(21)16(22)9-13/h3-9,20H,10H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide?
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide has a molecular weight of 440.28 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 1000315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).