3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

C24H24F3N3O3 — CID 168731230

IUPAC3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O3/c1-30-20(12-19(29-30)16-8-9-16)23(31)28-13-17-4-3-5-21(22(17)32-2)33-14-15-6-10-18(11-7-15)24(25,26)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,31)
InChIKeyNUVWYXVOBVJIOZ-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.83
Rot. Bonds8

About 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 168731230) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID168731230
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O3/c1-30-20(12-19(29-30)16-8-9-16)23(31)28-13-17-4-3-5-21(22(17)32-2)33-14-15-6-10-18(11-7-15)24(25,26)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,31)
InChIKeyNUVWYXVOBVJIOZ-UHFFFAOYSA-N
XLogP4.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 168731230) is 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is COc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NUVWYXVOBVJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-30-20(12-19(29-30)16-8-9-16)23(31)28-13-17-4-3-5-21(22(17)32-2)33-14-15-6-10-18(11-7-15)24(25,26)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,31).
What are the key properties of 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 168731230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).