N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide

C19H19F4N5O2 — CID 76902959

IUPACN-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCCOc1c(NC(=O)C(C)n2cc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19F4N5O2/c1-4-30-18-15(9-24-28(18)14-7-5-13(20)6-8-14)26-17(29)11(2)27-10-16(19(21,22)23)25-12(27)3/h5-11H,4H2,1-3H3,(H,26,29)
InChIKeyLENNSENXKKZPGJ-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.13
Rot. Bonds6

About N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide

N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 76902959) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID76902959
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC NameN-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCCOc1c(NC(=O)C(C)n2cc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19F4N5O2/c1-4-30-18-15(9-24-28(18)14-7-5-13(20)6-8-14)26-17(29)11(2)27-10-16(19(21,22)23)25-12(27)3/h5-11H,4H2,1-3H3,(H,26,29)
InChIKeyLENNSENXKKZPGJ-UHFFFAOYSA-N
XLogP4.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 76902959) is N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide is CCOc1c(NC(=O)C(C)n2cc(C(F)(F)F)nc2C)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is LENNSENXKKZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-4-30-18-15(9-24-28(18)14-7-5-13(20)6-8-14)26-17(29)11(2)27-10-16(19(21,22)23)25-12(27)3/h5-11H,4H2,1-3H3,(H,26,29).
What are the key properties of N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide?
N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 425.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethoxy-1-(4-fluorophenyl)pyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 76902959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).