(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C14H20ClN5O — CID 95287197

IUPAC(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1nn(C)c(Cl)c1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C14H20ClN5O/c1-11-13(14(15)18(2)17-11)10-19-6-7-21-12(8-19)9-20-5-3-4-16-20/h3-5,12H,6-10H2,1-2H3/t12-/m1/s1
InChIKeyLGKFATRFYCWRGX-GFCCVEGCSA-N
MW309.80 g/mol
LogP1.48
Rot. Bonds4

About (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95287197) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95287197
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1nn(C)c(Cl)c1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C14H20ClN5O/c1-11-13(14(15)18(2)17-11)10-19-6-7-21-12(8-19)9-20-5-3-4-16-20/h3-5,12H,6-10H2,1-2H3/t12-/m1/s1
InChIKeyLGKFATRFYCWRGX-GFCCVEGCSA-N
XLogP1.48
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 164636876
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278653
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
1,3-dimethyl-6-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95279155
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95287197) is (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Cc1nn(C)c(Cl)c1CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is LGKFATRFYCWRGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11-13(14(15)18(2)17-11)10-19-6-7-21-12(8-19)9-20-5-3-4-16-20/h3-5,12H,6-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 309.80 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95287197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).