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

C19H25ClN4O3 — CID 19271378

IUPAC1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCCCN3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C19H25ClN4O3/c1-15-13-16(3-4-17(15)20)27-14-24-8-5-18(22-24)19(25)21-6-2-7-23-9-11-26-12-10-23/h3-5,8,13H,2,6-7,9-12,14H2,1H3,(H,21,25)
InChIKeyWUFGTTXWAAFKKH-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.33
Rot. Bonds8

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

1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 19271378) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID19271378
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCCCN3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C19H25ClN4O3/c1-15-13-16(3-4-17(15)20)27-14-24-8-5-18(22-24)19(25)21-6-2-7-23-9-11-26-12-10-23/h3-5,8,13H,2,6-7,9-12,14H2,1H3,(H,21,25)
InChIKeyWUFGTTXWAAFKKH-UHFFFAOYSA-N
XLogP2.33
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.33
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-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 19271378) is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NCCCN3CCOCC3)n2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is WUFGTTXWAAFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-15-13-16(3-4-17(15)20)27-14-24-8-5-18(22-24)19(25)21-6-2-7-23-9-11-26-12-10-23/h3-5,8,13H,2,6-7,9-12,14H2,1H3,(H,21,25).
What are the key properties of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).