N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H19ClN4O2 — CID 167828485

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)n[nH]1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-12(20-19-11)10-15(22)18-14-4-2-3-13(17)16(14)21-5-7-23-8-6-21/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyAQLMSDDAXHZYLS-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.39
Rot. Bonds4

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 167828485) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID167828485
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)n[nH]1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-12(20-19-11)10-15(22)18-14-4-2-3-13(17)16(14)21-5-7-23-8-6-21/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyAQLMSDDAXHZYLS-UHFFFAOYSA-N
XLogP2.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 167828485) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)n[nH]1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is AQLMSDDAXHZYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-12(20-19-11)10-15(22)18-14-4-2-3-13(17)16(14)21-5-7-23-8-6-21/h2-4,9H,5-8,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 334.81 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 167828485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).