3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide

C18H13Cl2F2N3O2 — CID 19510088

IUPAC3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1
InChIInChI=1S/C18H13Cl2F2N3O2/c1-9-2-5-16(27-18(21)22)14(6-9)23-17(26)15-8-13(24-25-15)11-4-3-10(19)7-12(11)20/h2-8,18H,1H3,(H,23,26)(H,24,25)
InChIKeyMKWCLCVOPDICSK-UHFFFAOYSA-N
MW412.22 g/mol
LogP5.55
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19510088) has the molecular formula C18H13Cl2F2N3O2 and a molecular weight of 412.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID19510088
Molecular FormulaC18H13Cl2F2N3O2
Molecular Weight412.22 g/mol
Exact Mass411.04
IUPAC Name3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1
InChIInChI=1S/C18H13Cl2F2N3O2/c1-9-2-5-16(27-18(21)22)14(6-9)23-17(26)15-8-13(24-25-15)11-4-3-10(19)7-12(11)20/h2-8,18H,1H3,(H,23,26)(H,24,25)
InChIKeyMKWCLCVOPDICSK-UHFFFAOYSA-N
XLogP5.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.22
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510167
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 19510016
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide (CID 19510088) is 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide is Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MKWCLCVOPDICSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3O2/c1-9-2-5-16(27-18(21)22)14(6-9)23-17(26)15-8-13(24-25-15)11-4-3-10(19)7-12(11)20/h2-8,18H,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 412.22 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).