N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide

C20H22F3N3O — CID 170103199

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1ccc(C)cc1)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C20H22F3N3O/c1-11-5-7-14(8-6-11)12(2)13(3)26(15-9-10-15)20(27)16-17(18(21)22)24-25(4)19(16)23/h5-8,13,15,18H,2,9-10H2,1,3-4H3
InChIKeyFYTOLKHKSABJFW-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.51
Rot. Bonds6

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide (PubChem CID 170103199) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
PubChem CID170103199
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
SMILESC=C(c1ccc(C)cc1)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C20H22F3N3O/c1-11-5-7-14(8-6-11)12(2)13(3)26(15-9-10-15)20(27)16-17(18(21)22)24-25(4)19(16)23/h5-8,13,15,18H,2,9-10H2,1,3-4H3
InChIKeyFYTOLKHKSABJFW-UHFFFAOYSA-N
XLogP4.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide (CID 170103199) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide is C=C(c1ccc(C)cc1)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
The InChIKey is FYTOLKHKSABJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-11-5-7-14(8-6-11)12(2)13(3)26(15-9-10-15)20(27)16-17(18(21)22)24-25(4)19(16)23/h5-8,13,15,18H,2,9-10H2,1,3-4H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(4-methylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 170103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).