1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C18H23ClN4O3 — CID 19274308

IUPAC1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCCN3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-14-12-15(2-3-16(14)19)26-13-23-6-4-17(21-23)18(24)20-5-7-22-8-10-25-11-9-22/h2-4,6,12H,5,7-11,13H2,1H3,(H,20,24)
InChIKeyPBMMFCWEHJFODT-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.94
Rot. Bonds7

About 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 19274308) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID19274308
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCCN3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-14-12-15(2-3-16(14)19)26-13-23-6-4-17(21-23)18(24)20-5-7-22-8-10-25-11-9-22/h2-4,6,12H,5,7-11,13H2,1H3,(H,20,24)
InChIKeyPBMMFCWEHJFODT-UHFFFAOYSA-N
XLogP1.94
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 19274308) is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NCCN3CCOCC3)n2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PBMMFCWEHJFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-14-12-15(2-3-16(14)19)26-13-23-6-4-17(21-23)18(24)20-5-7-22-8-10-25-11-9-22/h2-4,6,12H,5,7-11,13H2,1H3,(H,20,24).
What are the key properties of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 1.94, 7 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-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19274308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).