(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone

C20H19N3O2 — CID 744570

IUPAC(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(22-11-13-25-14-12-22)18-15-23(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyYMQFPVYUBLHIRU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds3

About (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone

(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 744570) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
PubChem CID744570
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(22-11-13-25-14-12-22)18-15-23(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKeyYMQFPVYUBLHIRU-UHFFFAOYSA-N
XLogP3.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
3-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 24687585

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone (CID 744570) is (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is YMQFPVYUBLHIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(22-11-13-25-14-12-22)18-15-23(17-9-5-2-6-10-17)21-19(18)16-7-3-1-4-8-16/h1-10,15H,11-14H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
(1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 744570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).