3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

C19H19N3O4 — CID 4893236

IUPAC3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C(=O)c3ccc(OC)cc3)=NN2)cc1
InChIInChI=1S/C19H19N3O4/c1-25-14-7-3-12(4-8-14)18(23)16-11-17(22-21-16)19(24)20-13-5-9-15(26-2)10-6-13/h3-10,17,22H,11H2,1-2H3,(H,20,24)
InChIKeyOHDIJTNFCPBARO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.24
Rot. Bonds6

About 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (PubChem CID 4893236) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
PubChem CID4893236
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C(=O)c3ccc(OC)cc3)=NN2)cc1
InChIInChI=1S/C19H19N3O4/c1-25-14-7-3-12(4-8-14)18(23)16-11-17(22-21-16)19(24)20-13-5-9-15(26-2)10-6-13/h3-10,17,22H,11H2,1-2H3,(H,20,24)
InChIKeyOHDIJTNFCPBARO-UHFFFAOYSA-N
XLogP2.24
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
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N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (CID 4893236) is 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)C2CC(C(=O)c3ccc(OC)cc3)=NN2)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The InChIKey is OHDIJTNFCPBARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-14-7-3-12(4-8-14)18(23)16-11-17(22-21-16)19(24)20-13-5-9-15(26-2)10-6-13/h3-10,17,22H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4893236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).