2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine

C16H21ClN4O — CID 119110534

IUPAC2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2ccn[nH]2)N2CCOCC2)cc1
InChIInChI=1S/C16H21ClN4O/c17-14-3-1-13(2-4-14)16(21-7-9-22-10-8-21)12-18-11-15-5-6-19-20-15/h1-6,16,18H,7-12H2,(H,19,20)
InChIKeyBQDMOQZBRCLOBN-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 119110534) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID119110534
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2ccn[nH]2)N2CCOCC2)cc1
InChIInChI=1S/C16H21ClN4O/c17-14-3-1-13(2-4-14)16(21-7-9-22-10-8-21)12-18-11-15-5-6-19-20-15/h1-6,16,18H,7-12H2,(H,19,20)
InChIKeyBQDMOQZBRCLOBN-UHFFFAOYSA-N
XLogP2.23
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119109898
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 126769820
2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 119110535
2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 78894839
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 97087430
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 119110534) is 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine is Clc1ccc(C(CNCc2ccn[nH]2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is BQDMOQZBRCLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c17-14-3-1-13(2-4-14)16(21-7-9-22-10-8-21)12-18-11-15-5-6-19-20-15/h1-6,16,18H,7-12H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 320.82 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 119110534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).