2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine

C19H22ClN5O2 — CID 127250858

IUPAC2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESClc1ccc(OCCc2cc(C3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1
InChIInChI=1S/C19H22ClN5O2/c20-14-1-3-16(4-2-14)26-9-5-15-11-17(24-23-15)18-12-25(8-10-27-18)13-19-21-6-7-22-19/h1-4,6-7,11,18H,5,8-10,12-13H2,(H,21,22)(H,23,24)
InChIKeyCPBJLNFKKVATEJ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.98
Rot. Bonds7

About 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 127250858) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID127250858
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESClc1ccc(OCCc2cc(C3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1
InChIInChI=1S/C19H22ClN5O2/c20-14-1-3-16(4-2-14)26-9-5-15-11-17(24-23-15)18-12-25(8-10-27-18)13-19-21-6-7-22-19/h1-4,6-7,11,18H,5,8-10,12-13H2,(H,21,22)(H,23,24)
InChIKeyCPBJLNFKKVATEJ-UHFFFAOYSA-N
XLogP2.98
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 124945699
5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 110261448
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939802
[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 127252255
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 127250881
(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine (CID 127250858) is 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine is Clc1ccc(OCCc2cc(C3CN(Cc4ncc[nH]4)CCO3)n[nH]2)cc1.
What is the InChIKey of 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is CPBJLNFKKVATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-14-1-3-16(4-2-14)26-9-5-15-11-17(24-23-15)18-12-25(8-10-27-18)13-19-21-6-7-22-19/h1-4,6-7,11,18H,5,8-10,12-13H2,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 387.87 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 127250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).