3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

C19H19N3O2 — CID 752166

IUPAC3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)19(23)17-13-22(15-7-5-4-6-8-15)20-18(17)14-9-11-16(24-3)12-10-14/h4-13H,1-3H3
InChIKeyXNFCZBLOVYMWTK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds4

About 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 752166) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID752166
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)19(23)17-13-22(15-7-5-4-6-8-15)20-18(17)14-9-11-16(24-3)12-10-14/h4-13H,1-3H3
InChIKeyXNFCZBLOVYMWTK-UHFFFAOYSA-N
XLogP3.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (CID 752166) is 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XNFCZBLOVYMWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(2)19(23)17-13-22(15-7-5-4-6-8-15)20-18(17)14-9-11-16(24-3)12-10-14/h4-13H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 752166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).