5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide

C19H19N3O4 — CID 17411393

IUPAC5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)21-19(23)14-11-20-22-17(14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyBWSVHBCXCIBZAE-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.35
Rot. Bonds6

About 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide

5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 17411393) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID17411393
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)21-19(23)14-11-20-22-17(14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyBWSVHBCXCIBZAE-UHFFFAOYSA-N
XLogP3.35
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
1-methyl-6-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822498
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56568073
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide (CID 17411393) is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BWSVHBCXCIBZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)21-19(23)14-11-20-22-17(14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide?
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17411393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).