N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide

C16H20N4O2 — CID 119744682

IUPACN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)C1COCCN1
InChIInChI=1S/C16H20N4O2/c21-16(15-12-22-8-6-17-15)18-10-13-3-1-4-14(9-13)11-20-7-2-5-19-20/h1-5,7,9,15,17H,6,8,10-12H2,(H,18,21)
InChIKeyOJDIJUYEZYHPTG-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.54
Rot. Bonds5

About N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119744682) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID119744682
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)C1COCCN1
InChIInChI=1S/C16H20N4O2/c21-16(15-12-22-8-6-17-15)18-10-13-3-1-4-14(9-13)11-20-7-2-5-19-20/h1-5,7,9,15,17H,6,8,10-12H2,(H,18,21)
InChIKeyOJDIJUYEZYHPTG-UHFFFAOYSA-N
XLogP0.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.54
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
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120924763
4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 60562062

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide (CID 119744682) is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide is O=C(NCc1cccc(Cn2cccn2)c1)C1COCCN1.
What is the InChIKey of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is OJDIJUYEZYHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(15-12-22-8-6-17-15)18-10-13-3-1-4-14(9-13)11-20-7-2-5-19-20/h1-5,7,9,15,17H,6,8,10-12H2,(H,18,21).
What are the key properties of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide?
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119744682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).