2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

C18H24N4O2 — CID 86984527

IUPAC2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccccc2Cn2cccn2)CCO1
InChIInChI=1S/C18H24N4O2/c1-18(2)14-21(10-11-24-18)17(23)19-12-15-6-3-4-7-16(15)13-22-9-5-8-20-22/h3-9H,10-14H2,1-2H3,(H,19,23)
InChIKeyXMMOOWOZTUXSKC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds4

About 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 86984527) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID86984527
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2ccccc2Cn2cccn2)CCO1
InChIInChI=1S/C18H24N4O2/c1-18(2)14-21(10-11-24-18)17(23)19-12-15-6-3-4-7-16(15)13-22-9-5-8-20-22/h3-9H,10-14H2,1-2H3,(H,19,23)
InChIKeyXMMOOWOZTUXSKC-UHFFFAOYSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87003505
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51281385
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857591
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (CID 86984527) is 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is CC1(C)CN(C(=O)NCc2ccccc2Cn2cccn2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is XMMOOWOZTUXSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2)14-21(10-11-24-18)17(23)19-12-15-6-3-4-7-16(15)13-22-9-5-8-20-22/h3-9H,10-14H2,1-2H3,(H,19,23).
What are the key properties of 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 86984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).