[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C21H20ClN3O2 — CID 17465173

IUPAC[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-19-9-5-4-8-17(19)14-25-15-18(21(26)24-10-12-27-13-11-24)20(23-25)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeySOEOWSVHZNQWQG-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.72
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 17465173) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID17465173
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-19-9-5-4-8-17(19)14-25-15-18(21(26)24-10-12-27-13-11-24)20(23-25)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeySOEOWSVHZNQWQG-UHFFFAOYSA-N
XLogP3.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31415184
1-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24675770
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417240
4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
CID 60607152
1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde
CID 4961726
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
CID 86953684
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 17465173) is [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SOEOWSVHZNQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-19-9-5-4-8-17(19)14-25-15-18(21(26)24-10-12-27-13-11-24)20(23-25)16-6-2-1-3-7-16/h1-9,15H,10-14H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 381.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17465173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).