N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H18F4N6O4 — CID 164846744

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H18F4N6O4/c1-29-13(9-14(27-29)19(21,22)23)17(32)25-12(8-15(31)24-5-6-30)18-26-16(28-33-18)10-3-2-4-11(20)7-10/h2-4,7,9,12,30H,5-6,8H2,1H3,(H,24,31)(H,25,32)
InChIKeySGGNPOBTHBSBFX-UHFFFAOYSA-N
MW470.38 g/mol
LogP1.60
Rot. Bonds8

About N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 164846744) has the molecular formula C19H18F4N6O4 and a molecular weight of 470.38 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID164846744
Molecular FormulaC19H18F4N6O4
Molecular Weight470.38 g/mol
Exact Mass470.13
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H18F4N6O4/c1-29-13(9-14(27-29)19(21,22)23)17(32)25-12(8-15(31)24-5-6-30)18-26-16(28-33-18)10-3-2-4-11(20)7-10/h2-4,7,9,12,30H,5-6,8H2,1H3,(H,24,31)(H,25,32)
InChIKeySGGNPOBTHBSBFX-UHFFFAOYSA-N
XLogP1.60
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 164846744) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SGGNPOBTHBSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O4/c1-29-13(9-14(27-29)19(21,22)23)17(32)25-12(8-15(31)24-5-6-30)18-26-16(28-33-18)10-3-2-4-11(20)7-10/h2-4,7,9,12,30H,5-6,8H2,1H3,(H,24,31)(H,25,32).
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 470.38 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 164846744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).