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

C19H15Cl2F2N3O2 — CID 19393006

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)F)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2F2N3O2/c1-11-8-17(25-26(11)10-12-2-7-15(20)16(21)9-12)24-18(27)13-3-5-14(6-4-13)28-19(22)23/h2-9,19H,10H2,1H3,(H,24,25,27)
InChIKeyDZFHPDXXBSWSAI-UHFFFAOYSA-N
MW426.25 g/mol
LogP5.40
Rot. Bonds6

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

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 19393006) has the molecular formula C19H15Cl2F2N3O2 and a molecular weight of 426.25 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
PubChem CID19393006
Molecular FormulaC19H15Cl2F2N3O2
Molecular Weight426.25 g/mol
Exact Mass425.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)F)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2F2N3O2/c1-11-8-17(25-26(11)10-12-2-7-15(20)16(21)9-12)24-18(27)13-3-5-14(6-4-13)28-19(22)23/h2-9,19H,10H2,1H3,(H,24,25,27)
InChIKeyDZFHPDXXBSWSAI-UHFFFAOYSA-N
XLogP5.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.25
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19393072
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(difluoromethoxy)benzamide
CID 19411853
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide (CID 19393006) is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide is Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The InChIKey is DZFHPDXXBSWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2N3O2/c1-11-8-17(25-26(11)10-12-2-7-15(20)16(21)9-12)24-18(27)13-3-5-14(6-4-13)28-19(22)23/h2-9,19H,10H2,1H3,(H,24,25,27).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide?
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 426.25 g/mol, XLogP of 5.40, 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]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 19393006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).