N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C18H16Cl2F3N3O — CID 170102825

IUPACN-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESC=C(CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3
InChIKeyRLCQQUQJUHSLLN-UHFFFAOYSA-N
MW418.25 g/mol
LogP5.12
Rot. Bonds6

About N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 170102825) has the molecular formula C18H16Cl2F3N3O and a molecular weight of 418.25 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID170102825
Molecular FormulaC18H16Cl2F3N3O
Molecular Weight418.25 g/mol
Exact Mass417.06
IUPAC NameN-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESC=C(CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3
InChIKeyRLCQQUQJUHSLLN-UHFFFAOYSA-N
XLogP5.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 170102825) is N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is C=C(CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is RLCQQUQJUHSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3.
What are the key properties of N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 418.25 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2,4-dichlorophenyl)prop-2-enyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 170102825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).