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

C22H28ClN5O2 — CID 124945699

IUPAC(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1
InChIInChI=1S/C22H28ClN5O2/c1-3-28-14-17(16(2)26-28)13-27-9-11-30-22(15-27)21-12-19(24-25-21)8-10-29-20-6-4-18(23)5-7-20/h4-7,12,14,22H,3,8-11,13,15H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyBSVMZGIGODTAMR-QFIPXVFZSA-N
MW429.95 g/mol
LogP3.78
Rot. Bonds8

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

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 124945699) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
PubChem CID124945699
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1
InChIInChI=1S/C22H28ClN5O2/c1-3-28-14-17(16(2)26-28)13-27-9-11-30-22(15-27)21-12-19(24-25-21)8-10-29-20-6-4-18(23)5-7-20/h4-7,12,14,22H,3,8-11,13,15H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyBSVMZGIGODTAMR-QFIPXVFZSA-N
XLogP3.78
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]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

(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 127250781
(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
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
1-ethyl-4-[[(3R)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-3-methylpyrazole
CID 95831706
1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 127250836
6-[(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 124944325
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 127250042
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 127250881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine (CID 124945699) is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine is CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1.
What is the InChIKey of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is BSVMZGIGODTAMR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-3-28-14-17(16(2)26-28)13-27-9-11-30-22(15-27)21-12-19(24-25-21)8-10-29-20-6-4-18(23)5-7-20/h4-7,12,14,22H,3,8-11,13,15H2,1-2H3,(H,24,25)/t22-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 429.95 g/mol, XLogP of 3.78, 8 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]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 124945699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).