3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide

C14H19F3N4O2 — CID 128796894

IUPAC3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-9-6-12(19-21(9)8-14(15,16)17)18-13(22)20-4-5-23-7-11(20)10-2-3-10/h6,10-11H,2-5,7-8H2,1H3,(H,18,19,22)
InChIKeyXXJFKBFBPWHGKR-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.40
Rot. Bonds3

About 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide

3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide (PubChem CID 128796894) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
PubChem CID128796894
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-9-6-12(19-21(9)8-14(15,16)17)18-13(22)20-4-5-23-7-11(20)10-2-3-10/h6,10-11H,2-5,7-8H2,1H3,(H,18,19,22)
InChIKeyXXJFKBFBPWHGKR-UHFFFAOYSA-N
XLogP2.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 75475549
5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 154761447
1-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone
CID 146131776
(3S)-3-cyclopropyl-N-[1-(difluoromethyl)indazol-5-yl]morpholine-4-carboxamide
CID 97247314
cyclohexyl-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]methanone
CID 75475480
(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 97085480
[(3S)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]-phenylmethanone
CID 97346582
2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone
CID 97346611
3-cyclopropyl-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]morpholine-4-carboxamide
CID 84592330
(2,4-difluorophenyl)-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]methanone
CID 75475485
2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
CID 71757652
N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126810442

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide (CID 128796894) is 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOCC2C2CC2)nn1CC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The InChIKey is XXJFKBFBPWHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-9-6-12(19-21(9)8-14(15,16)17)18-13(22)20-4-5-23-7-11(20)10-2-3-10/h6,10-11H,2-5,7-8H2,1H3,(H,18,19,22).
What are the key properties of 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 128796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).