N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C19H16ClF3N4O2 — CID 122510216

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C2CC2)c1F
InChIInChI=1S/C19H16ClF3N4O2/c1-26-18(23)15(16(24-26)17(21)22)19(28)27(12-6-7-12)9-13-8-14(25-29-13)10-2-4-11(20)5-3-10/h2-5,8,12,17H,6-7,9H2,1H3
InChIKeySSQWMXSDDRUEIS-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.61
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 122510216) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID122510216
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C2CC2)c1F
InChIInChI=1S/C19H16ClF3N4O2/c1-26-18(23)15(16(24-26)17(21)22)19(28)27(12-6-7-12)9-13-8-14(25-29-13)10-2-4-11(20)5-3-10/h2-5,8,12,17H,6-7,9H2,1H3
InChIKeySSQWMXSDDRUEIS-UHFFFAOYSA-N
XLogP4.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 122510216) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C2CC2)c1F.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is SSQWMXSDDRUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c1-26-18(23)15(16(24-26)17(21)22)19(28)27(12-6-7-12)9-13-8-14(25-29-13)10-2-4-11(20)5-3-10/h2-5,8,12,17H,6-7,9H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122510216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).