N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H21F3N4O3 — CID 124735355

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCOCC2)o1
InChIInChI=1S/C17H21F3N4O3/c1-12-2-3-15(27-12)14(23-4-6-26-7-5-23)9-21-16(25)13-8-22-24(10-13)11-17(18,19)20/h2-3,8,10,14H,4-7,9,11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyNNNQKUNLOXIPOP-CQSZACIVSA-N
MW386.37 g/mol
LogP2.15
Rot. Bonds6

About N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 124735355) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID124735355
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCOCC2)o1
InChIInChI=1S/C17H21F3N4O3/c1-12-2-3-15(27-12)14(23-4-6-26-7-5-23)9-21-16(25)13-8-22-24(10-13)11-17(18,19)20/h2-3,8,10,14H,4-7,9,11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyNNNQKUNLOXIPOP-CQSZACIVSA-N
XLogP2.15
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124860900
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124732897
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55649454
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 99942348
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 124735355) is N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCOCC2)o1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is NNNQKUNLOXIPOP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-12-2-3-15(27-12)14(23-4-6-26-7-5-23)9-21-16(25)13-8-22-24(10-13)11-17(18,19)20/h2-3,8,10,14H,4-7,9,11H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).