5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide

C23H21F4N3O2 — CID 155287049

IUPAC5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C23H21F4N3O2/c1-13-19(21(31)28-16-5-3-4-15(12-16)23(2,26)27)20(14-6-7-14)30(29-13)17-8-10-18(11-9-17)32-22(24)25/h3-5,8-12,14,22H,6-7H2,1-2H3,(H,28,31)
InChIKeyFXHRJQLEGHRMRU-UHFFFAOYSA-N
MW447.43 g/mol
LogP6.02
Rot. Bonds7

About 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide

5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 155287049) has the molecular formula C23H21F4N3O2 and a molecular weight of 447.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID155287049
Molecular FormulaC23H21F4N3O2
Molecular Weight447.43 g/mol
Exact Mass447.16
IUPAC Name5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C23H21F4N3O2/c1-13-19(21(31)28-16-5-3-4-15(12-16)23(2,26)27)20(14-6-7-14)30(29-13)17-8-10-18(11-9-17)32-22(24)25/h3-5,8-12,14,22H,6-7H2,1-2H3,(H,28,31)
InChIKeyFXHRJQLEGHRMRU-UHFFFAOYSA-N
XLogP6.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide (CID 155287049) is 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is FXHRJQLEGHRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O2/c1-13-19(21(31)28-16-5-3-4-15(12-16)23(2,26)27)20(14-6-7-14)30(29-13)17-8-10-18(11-9-17)32-22(24)25/h3-5,8-12,14,22H,6-7H2,1-2H3,(H,28,31).
What are the key properties of 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide?
5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155287049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).