N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C19H19N3O3 — CID 8889007

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-9-8-13(10-18(17)25-2)12-20-19(23)16-11-15(21-22-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFHDUFKYXJPCLF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.02
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8889007) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8889007
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-9-8-13(10-18(17)25-2)12-20-19(23)16-11-15(21-22-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFHDUFKYXJPCLF-UHFFFAOYSA-N
XLogP3.02
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 8889007) is N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is AFHDUFKYXJPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-17-9-8-13(10-18(17)25-2)12-20-19(23)16-11-15(21-22-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8889007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).