N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide

C22H24N4O2 — CID 119698864

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CNCCO1
InChIInChI=1S/C22H24N4O2/c27-22(20-14-23-11-12-28-20)24-13-19-16-26(15-17-7-3-1-4-8-17)25-21(19)18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,24,27)
InChIKeyHZGCLMWVLCQPHW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.20
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 119698864) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
PubChem CID119698864
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CNCCO1
InChIInChI=1S/C22H24N4O2/c27-22(20-14-23-11-12-28-20)24-13-19-16-26(15-17-7-3-1-4-8-17)25-21(19)18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,24,27)
InChIKeyHZGCLMWVLCQPHW-UHFFFAOYSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide (CID 119698864) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CNCCO1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is HZGCLMWVLCQPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(20-14-23-11-12-28-20)24-13-19-16-26(15-17-7-3-1-4-8-17)25-21(19)18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,24,27).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119698864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).