1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C18H23ClN4O3 — CID 19276471

IUPAC1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2cccc(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O3/c19-15-3-1-4-16(13-15)26-14-23-8-5-17(21-23)18(24)20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,20,24)
InChIKeyHJJLRXVPCYGZTG-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.03
Rot. Bonds8

About 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 19276471) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID19276471
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2cccc(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O3/c19-15-3-1-4-16(13-15)26-14-23-8-5-17(21-23)18(24)20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,20,24)
InChIKeyHJJLRXVPCYGZTG-UHFFFAOYSA-N
XLogP2.03
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 19276471) is 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(COc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is HJJLRXVPCYGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c19-15-3-1-4-16(13-15)26-14-23-8-5-17(21-23)18(24)20-6-2-7-22-9-11-25-12-10-22/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,20,24).
What are the key properties of 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19276471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).