1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

C29H23N3O2S — CID 19273348

IUPAC1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C29H23N3O2S/c33-29(30-26-13-7-8-14-28(26)35-25-11-5-2-6-12-25)27-19-20-32(31-27)21-34-24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-20H,21H2,(H,30,33)
InChIKeyQHKHYKYXJLEKBB-UHFFFAOYSA-N
MW477.59 g/mol
LogP6.99
Rot. Bonds8

About 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 19273348) has the molecular formula C29H23N3O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID19273348
Molecular FormulaC29H23N3O2S
Molecular Weight477.59 g/mol
Exact Mass477.15
IUPAC Name1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C29H23N3O2S/c33-29(30-26-13-7-8-14-28(26)35-25-11-5-2-6-12-25)27-19-20-32(31-27)21-34-24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-20H,21H2,(H,30,33)
InChIKeyQHKHYKYXJLEKBB-UHFFFAOYSA-N
XLogP6.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325576
N-[2-(4-chlorophenyl)sulfanylphenyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270737
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
N-(3-hydroxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273626
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
propan-2-yl 1-ethyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404561
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273496
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273587
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273528
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273536

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide (CID 19273348) is 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is QHKHYKYXJLEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2S/c33-29(30-26-13-7-8-14-28(26)35-25-11-5-2-6-12-25)27-19-20-32(31-27)21-34-24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-20H,21H2,(H,30,33).
What are the key properties of 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide?
1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19273348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).