N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide

C19H15N3O2 — CID 87018608

IUPACN-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c23-19(16-12-21-22-18(16)13-6-2-1-3-7-13)20-11-15-10-14-8-4-5-9-17(14)24-15/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyUZSQYBQQGOVCOG-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.75
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 87018608) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID87018608
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H15N3O2/c23-19(16-12-21-22-18(16)13-6-2-1-3-7-13)20-11-15-10-14-8-4-5-9-17(14)24-15/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyUZSQYBQQGOVCOG-UHFFFAOYSA-N
XLogP3.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(1-benzofuran-2-ylmethyl)-1H-pyrazole-4-carboxylic acid
CID 82377950
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60515107

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 87018608) is N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCc1cc2ccccc2o1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is UZSQYBQQGOVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(16-12-21-22-18(16)13-6-2-1-3-7-13)20-11-15-10-14-8-4-5-9-17(14)24-15/h1-10,12H,11H2,(H,20,23)(H,21,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 87018608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).