N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C19H17F3N4O2 — CID 51353175

IUPACN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-10-17(11(2)28-25-10)18(27)23-13-5-7-14(8-6-13)26-15(12-3-4-12)9-16(24-26)19(20,21)22/h5-9,12H,3-4H2,1-2H3,(H,23,27)
InChIKeySYEBDSIZVIIHNS-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.63
Rot. Bonds4

About N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 51353175) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID51353175
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-10-17(11(2)28-25-10)18(27)23-13-5-7-14(8-6-13)26-15(12-3-4-12)9-16(24-26)19(20,21)22/h5-9,12H,3-4H2,1-2H3,(H,23,27)
InChIKeySYEBDSIZVIIHNS-UHFFFAOYSA-N
XLogP4.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 51353175) is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SYEBDSIZVIIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-10-17(11(2)28-25-10)18(27)23-13-5-7-14(8-6-13)26-15(12-3-4-12)9-16(24-26)19(20,21)22/h5-9,12H,3-4H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51353175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).