(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide

C14H21F3N4O2 — CID 129487657

IUPAC(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCn1cc(CCNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cn1
InChIInChI=1S/C14H21F3N4O2/c1-13(2)9-21(8-11(23-13)14(15,16)17)12(22)18-5-4-10-6-19-20(3)7-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyVUXVXRVGJQVRTP-NSHDSACASA-N
MW334.34 g/mol
LogP1.71
Rot. Bonds3

About (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide

(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 129487657) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID129487657
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCn1cc(CCNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cn1
InChIInChI=1S/C14H21F3N4O2/c1-13(2)9-21(8-11(23-13)14(15,16)17)12(22)18-5-4-10-6-19-20(3)7-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyVUXVXRVGJQVRTP-NSHDSACASA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide (CID 129487657) is (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide is Cn1cc(CCNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cn1.
What is the InChIKey of (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is VUXVXRVGJQVRTP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2)9-21(8-11(23-13)14(15,16)17)12(22)18-5-4-10-6-19-20(3)7-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide?
(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129487657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).