(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C15H18F3N5O — CID 95276282

IUPAC(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUGJLYRMQLYTCMX-LBPRGKRZSA-N
MW341.34 g/mol
LogP2.21
Rot. Bonds3

About (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 95276282) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID95276282
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1
InChIInChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUGJLYRMQLYTCMX-LBPRGKRZSA-N
XLogP2.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Rimtuzalcap
CID 132207249
4-[6-(3,5-Dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine
CID 321075
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 934982
2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-5-(5-fluoro-2-pyrimidinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56898062
2-(1H-pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 72882586
4-[2-(1-ethyl-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-yl]morpholine
CID 121496357
4-[4-(1-Ethyl-1H-pyrazol-4-YL)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 44821887
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-morpholino-6-methylpyrimidine
CID 11335968
2-[4-[4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine
CID 15788035
4,6-Dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030356
5-[4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44159987
4-[2-(3-Fluoropyrazol-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 57806055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 95276282) is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1cc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is UGJLYRMQLYTCMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-7-11(2)23(21-10)9-12-8-22(5-6-24-12)14-19-4-3-13(20-14)15(16,17)18/h3-4,7,12H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 341.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 95276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).