3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide

C19H20F2N4O2 — CID 141367780

IUPAC3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C19H20F2N4O2/c1-10(2)12-4-6-13(7-5-12)15-8-14(27-24-15)9-25-11(3)16(19(22)26)17(23-25)18(20)21/h4-8,10,18H,9H2,1-3H3,(H2,22,26)
InChIKeyPGMFJYDKASYFHA-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.05
Rot. Bonds6

About 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide

3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 141367780) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID141367780
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C19H20F2N4O2/c1-10(2)12-4-6-13(7-5-12)15-8-14(27-24-15)9-25-11(3)16(19(22)26)17(23-25)18(20)21/h4-8,10,18H,9H2,1-3H3,(H2,22,26)
InChIKeyPGMFJYDKASYFHA-UHFFFAOYSA-N
XLogP4.05
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide (CID 141367780) is 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)C)cc2)no1.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is PGMFJYDKASYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-10(2)12-4-6-13(7-5-12)15-8-14(27-24-15)9-25-11(3)16(19(22)26)17(23-25)18(20)21/h4-8,10,18H,9H2,1-3H3,(H2,22,26).
What are the key properties of 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-1-[[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 141367780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).