(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine

C18H18ClN3OS — CID 95403050

IUPAC(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine
SMILESClc1ccc([C@@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)CCO2)cc1
InChIInChI=1S/C18H18ClN3OS/c19-14-3-1-13(2-4-14)17-12-22(9-10-23-17)11-15-5-6-18(24-15)16-7-8-20-21-16/h1-8,17H,9-12H2,(H,20,21)/t17-/m0/s1
InChIKeyRHUAFDVKYBUHFP-KRWDZBQOSA-N
MW359.88 g/mol
LogP4.37
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine

(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine (PubChem CID 95403050) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine
PubChem CID95403050
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine
SMILESClc1ccc([C@@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)CCO2)cc1
InChIInChI=1S/C18H18ClN3OS/c19-14-3-1-13(2-4-14)17-12-22(9-10-23-17)11-15-5-6-18(24-15)16-7-8-20-21-16/h1-8,17H,9-12H2,(H,20,21)/t17-/m0/s1
InChIKeyRHUAFDVKYBUHFP-KRWDZBQOSA-N
XLogP4.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine (CID 95403050) is (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine is Clc1ccc([C@@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine?
The InChIKey is RHUAFDVKYBUHFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-14-3-1-13(2-4-14)17-12-22(9-10-23-17)11-15-5-6-18(24-15)16-7-8-20-21-16/h1-8,17H,9-12H2,(H,20,21)/t17-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine?
(2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine has a molecular weight of 359.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 95403050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).