N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide

C16H20N4O2 — CID 119694754

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1COCCN1
InChIInChI=1S/C16H20N4O2/c1-19(16(21)15-12-22-8-7-17-15)10-13-9-18-20(11-13)14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3
InChIKeySTYKBOWVVLEMCM-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.82
Rot. Bonds4

About N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide (PubChem CID 119694754) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
PubChem CID119694754
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1COCCN1
InChIInChI=1S/C16H20N4O2/c1-19(16(21)15-12-22-8-7-17-15)10-13-9-18-20(11-13)14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3
InChIKeySTYKBOWVVLEMCM-UHFFFAOYSA-N
XLogP0.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
(1R,5R,6R)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.2.0]heptane-6-carboxamide
CID 139020507
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 52990156
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide (CID 119694754) is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1COCCN1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
The InChIKey is STYKBOWVVLEMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(16(21)15-12-22-8-7-17-15)10-13-9-18-20(11-13)14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide?
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119694754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).