N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C18H21F3N4O2 — CID 124732897

IUPACN-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)13-25-12-15(10-23-25)17(26)22-11-16(14-4-2-1-3-5-14)24-6-8-27-9-7-24/h1-5,10,12,16H,6-9,11,13H2,(H,22,26)/t16-/m0/s1
InChIKeyKAFZVXNDJWNLPE-INIZCTEOSA-N
MW382.39 g/mol
LogP2.25
Rot. Bonds6

About N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 124732897) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID124732897
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)13-25-12-15(10-23-25)17(26)22-11-16(14-4-2-1-3-5-14)24-6-8-27-9-7-24/h1-5,10,12,16H,6-9,11,13H2,(H,22,26)/t16-/m0/s1
InChIKeyKAFZVXNDJWNLPE-INIZCTEOSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124735355
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124860900
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 43045112
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-(2-morpholin-4-yl-2-phenylethyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954887
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 124732897) is N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is KAFZVXNDJWNLPE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)13-25-12-15(10-23-25)17(26)22-11-16(14-4-2-1-3-5-14)24-6-8-27-9-7-24/h1-5,10,12,16H,6-9,11,13H2,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124732897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).