2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C16H26ClN5O2 — CID 51301699

IUPAC2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(C)c(Cl)c1CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H26ClN5O2/c1-13-14(16(17)19(2)18-13)11-20-3-5-21(6-4-20)12-15(23)22-7-9-24-10-8-22/h3-12H2,1-2H3
InChIKeyGZRDPUYFPJLVFR-UHFFFAOYSA-N
MW355.87 g/mol
LogP0.36
Rot. Bonds4

About 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 51301699) has the molecular formula C16H26ClN5O2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID51301699
Molecular FormulaC16H26ClN5O2
Molecular Weight355.87 g/mol
Exact Mass355.18
IUPAC Name2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(C)c(Cl)c1CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H26ClN5O2/c1-13-14(16(17)19(2)18-13)11-20-3-5-21(6-4-20)12-15(23)22-7-9-24-10-8-22/h3-12H2,1-2H3
InChIKeyGZRDPUYFPJLVFR-UHFFFAOYSA-N
XLogP0.36
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
[2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3708697
[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 138383559
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]morpholine-3-carboxylate
CID 115752698
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethane-1,2-dione
CID 74224223
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
CID 60796849
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 51301699) is 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1nn(C)c(Cl)c1CN1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GZRDPUYFPJLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5O2/c1-13-14(16(17)19(2)18-13)11-20-3-5-21(6-4-20)12-15(23)22-7-9-24-10-8-22/h3-12H2,1-2H3.
What are the key properties of 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 355.87 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51301699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).