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

C20H24ClN5O2 — CID 125001302

IUPAC(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESCn1nc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O2/c1-25-16(6-10-27-17-4-2-15(21)3-5-17)12-18(24-25)19-13-26(9-11-28-19)14-20-22-7-8-23-20/h2-5,7-8,12,19H,6,9-11,13-14H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeySCHJBHBLCWCOEF-IBGZPJMESA-N
MW401.90 g/mol
LogP2.99
Rot. Bonds7

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

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 125001302) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID125001302
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESCn1nc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O2/c1-25-16(6-10-27-17-4-2-15(21)3-5-17)12-18(24-25)19-13-26(9-11-28-19)14-20-22-7-8-23-20/h2-5,7-8,12,19H,6,9-11,13-14H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeySCHJBHBLCWCOEF-IBGZPJMESA-N
XLogP2.99
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-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

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223
2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124948203
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 127248609
(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 124947170
(2S)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 125009809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine (CID 125001302) is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine is Cn1nc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1CCOc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is SCHJBHBLCWCOEF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-25-16(6-10-27-17-4-2-15(21)3-5-17)12-18(24-25)19-13-26(9-11-28-19)14-20-22-7-8-23-20/h2-5,7-8,12,19H,6,9-11,13-14H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine?
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 401.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 125001302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).