(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide

C18H24N4O2 — CID 124588176

IUPAC(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3CNCCO3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)12-16-5-3-4-15(9-16)10-20-18(23)17-11-19-6-7-24-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeySMJRYXGJKNAAIS-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.15
Rot. Bonds5

About (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide

(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide (PubChem CID 124588176) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
PubChem CID124588176
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3CNCCO3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)12-16-5-3-4-15(9-16)10-20-18(23)17-11-19-6-7-24-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeySMJRYXGJKNAAIS-QGZVFWFLSA-N
XLogP1.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150535
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119781726
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide (CID 124588176) is (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide is Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3CNCCO3)c2)n1.
What is the InChIKey of (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is SMJRYXGJKNAAIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)12-16-5-3-4-15(9-16)10-20-18(23)17-11-19-6-7-24-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide?
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 124588176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).