1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide

C18H16ClN3O2 — CID 164622929

IUPAC1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-20-18(23)16-11-17(12-3-9-15(24-2)10-4-12)22(21-16)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H,20,23)
InChIKeyLEZMWKCCTHVQGP-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 164622929) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
PubChem CID164622929
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-20-18(23)16-11-17(12-3-9-15(24-2)10-4-12)22(21-16)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H,20,23)
InChIKeyLEZMWKCCTHVQGP-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide (CID 164622929) is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is LEZMWKCCTHVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-20-18(23)16-11-17(12-3-9-15(24-2)10-4-12)22(21-16)14-7-5-13(19)6-8-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164622929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).