5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

C23H20N4O2 — CID 60515107

IUPAC5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(20-15-26-27-21(20)18-10-5-2-6-11-18)25-14-19-12-7-13-24-23(19)29-16-17-8-3-1-4-9-17/h1-13,15H,14,16H2,(H,25,28)(H,26,27)
InChIKeyDCOKTWAEWHOMIE-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.98
Rot. Bonds7

About 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60515107) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID60515107
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H20N4O2/c28-22(20-15-26-27-21(20)18-10-5-2-6-11-18)25-14-19-12-7-13-24-23(19)29-16-17-8-3-1-4-9-17/h1-13,15H,14,16H2,(H,25,28)(H,26,27)
InChIKeyDCOKTWAEWHOMIE-UHFFFAOYSA-N
XLogP3.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 78879326
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824606
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824584
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (CID 60515107) is 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1cccnc1OCc1ccccc1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DCOKTWAEWHOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(20-15-26-27-21(20)18-10-5-2-6-11-18)25-14-19-12-7-13-24-23(19)29-16-17-8-3-1-4-9-17/h1-13,15H,14,16H2,(H,25,28)(H,26,27).
What are the key properties of 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60515107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).