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

C18H24N4O2 — CID 124695970

IUPAC(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3COCCN3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)11-16-5-3-4-15(9-16)10-20-18(23)17-12-24-7-6-19-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyKXJDNBDAONBMGY-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.15
Rot. Bonds5

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

(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide (PubChem CID 124695970) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
PubChem CID124695970
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3COCCN3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)11-16-5-3-4-15(9-16)10-20-18(23)17-12-24-7-6-19-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyKXJDNBDAONBMGY-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

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

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Related Compounds

(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150535
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119848570
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119752904
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide (CID 124695970) is (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide is Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3COCCN3)c2)n1.
What is the InChIKey of (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is KXJDNBDAONBMGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-14(2)22(21-13)11-16-5-3-4-15(9-16)10-20-18(23)17-12-24-7-6-19-17/h3-5,8-9,17,19H,6-7,10-12H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide?
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-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 (3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 124695970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).