(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide

C15H21F3N4O2 — CID 124618201

IUPAC(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1COCCN1CC1CCC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)10-22-8-12(6-19-22)20-14(23)13-9-24-5-4-21(13)7-11-2-1-3-11/h6,8,11,13H,1-5,7,9-10H2,(H,20,23)/t13-/m0/s1
InChIKeyUJLUVYJBNOQSCH-ZDUSSCGKSA-N
MW346.35 g/mol
LogP1.88
Rot. Bonds5

About (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide

(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide (PubChem CID 124618201) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
PubChem CID124618201
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1COCCN1CC1CCC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)10-22-8-12(6-19-22)20-14(23)13-9-24-5-4-21(13)7-11-2-1-3-11/h6,8,11,13H,1-5,7,9-10H2,(H,20,23)/t13-/m0/s1
InChIKeyUJLUVYJBNOQSCH-ZDUSSCGKSA-N
XLogP1.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 110278326
4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 86801210
1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 136526513
(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258
4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
CID 126776905
(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 120934160
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
CID 129400309
(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124844817
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide
CID 167858056

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide (CID 124618201) is (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1COCCN1CC1CCC1.
What is the InChIKey of (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The InChIKey is UJLUVYJBNOQSCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)10-22-8-12(6-19-22)20-14(23)13-9-24-5-4-21(13)7-11-2-1-3-11/h6,8,11,13H,1-5,7,9-10H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 124618201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).