(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C15H23ClN6O — CID 129332069

IUPAC(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nn(C)c(Cl)c1CN1CCO[C@@H](c2nncn2CC)C1
InChIInChI=1S/C15H23ClN6O/c1-4-12-11(14(16)20(3)19-12)8-21-6-7-23-13(9-21)15-18-17-10-22(15)5-2/h10,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyCSWFYKZQZNATEN-CYBMUJFWSA-N
MW338.84 g/mol
LogP1.82
Rot. Bonds5

About (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129332069) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129332069
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nn(C)c(Cl)c1CN1CCO[C@@H](c2nncn2CC)C1
InChIInChI=1S/C15H23ClN6O/c1-4-12-11(14(16)20(3)19-12)8-21-6-7-23-13(9-21)15-18-17-10-22(15)5-2/h10,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyCSWFYKZQZNATEN-CYBMUJFWSA-N
XLogP1.82
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129342067
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
CID 129330303

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 129332069) is (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCc1nn(C)c(Cl)c1CN1CCO[C@@H](c2nncn2CC)C1.
What is the InChIKey of (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is CSWFYKZQZNATEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23ClN6O/c1-4-12-11(14(16)20(3)19-12)8-21-6-7-23-13(9-21)15-18-17-10-22(15)5-2/h10,13H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 338.84 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129332069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).