[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone

C20H28ClN3O2 — CID 68650440

IUPAC[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)CC(CN1CC=CN1C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3O2/c1-16(2)14-18(17-4-6-19(21)7-5-17)15-23-8-3-9-24(23)20(25)22-10-12-26-13-11-22/h3-7,9,16,18H,8,10-15H2,1-2H3
InChIKeyFFMFPIXAZRKYIJ-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.97
Rot. Bonds5

About [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone

[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 68650440) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone
PubChem CID68650440
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)CC(CN1CC=CN1C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3O2/c1-16(2)14-18(17-4-6-19(21)7-5-17)15-23-8-3-9-24(23)20(25)22-10-12-26-13-11-22/h3-7,9,16,18H,8,10-15H2,1-2H3
InChIKeyFFMFPIXAZRKYIJ-UHFFFAOYSA-N
XLogP3.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305687
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
(2S)-2-(4-chlorophenyl)-4-methyl-1-(1,4-oxazepan-4-yl)pentan-3-one
CID 59670900
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 55715611
(2S)-2-acetamido-4-methylpentanoic acid;2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
CID 160657514
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
S-[2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbothioate
CID 2726464

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone (CID 68650440) is [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone is CC(C)CC(CN1CC=CN1C(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is FFMFPIXAZRKYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-16(2)14-18(17-4-6-19(21)7-5-17)15-23-8-3-9-24(23)20(25)22-10-12-26-13-11-22/h3-7,9,16,18H,8,10-15H2,1-2H3.
What are the key properties of [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone?
[2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 377.92 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)-4-methylpentyl]-3H-pyrazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68650440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).