1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

C20H21N3O2 — CID 1235418

IUPAC1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C20H21N3O2/c1-4-15-9-5-7-11-18(15)23-14(2)16(13-21-23)20(24)22-17-10-6-8-12-19(17)25-3/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyMJUBSDWOSSOLNW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.00
Rot. Bonds5

About 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 1235418) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID1235418
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C20H21N3O2/c1-4-15-9-5-7-11-18(15)23-14(2)16(13-21-23)20(24)22-17-10-6-8-12-19(17)25-3/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyMJUBSDWOSSOLNW-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 1235418) is 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is CCc1ccccc1-n1ncc(C(=O)Nc2ccccc2OC)c1C.
What is the InChIKey of 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is MJUBSDWOSSOLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-15-9-5-7-11-18(15)23-14(2)16(13-21-23)20(24)22-17-10-6-8-12-19(17)25-3/h5-13H,4H2,1-3H3,(H,22,24).
What are the key properties of 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 1235418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).