1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide

C18H16ClN3O2 — CID 19580514

IUPAC1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-13-4-2-3-5-16(13)20-18(23)17-10-11-22(21-17)12-24-15-8-6-14(19)7-9-15/h2-11H,12H2,1H3,(H,20,23)
InChIKeyFLJLLICSYWVMMO-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.13
Rot. Bonds5

About 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide

1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 19580514) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide
PubChem CID19580514
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-13-4-2-3-5-16(13)20-18(23)17-10-11-22(21-17)12-24-15-8-6-14(19)7-9-15/h2-11H,12H2,1H3,(H,20,23)
InChIKeyFLJLLICSYWVMMO-UHFFFAOYSA-N
XLogP4.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide (CID 19580514) is 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide is Cc1ccccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is FLJLLICSYWVMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-13-4-2-3-5-16(13)20-18(23)17-10-11-22(21-17)12-24-15-8-6-14(19)7-9-15/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide?
1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-N-(2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19580514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).