N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

C26H24N4O3 — CID 51998872

IUPACN-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cccc(COc3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C26H24N4O3/c1-2-25(31)28-24-17-23(29-30(24)21-12-5-3-6-13-21)26(32)27-20-11-9-10-19(16-20)18-33-22-14-7-4-8-15-22/h3-17H,2,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyONMCOXXQNNBPPT-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.05
Rot. Bonds8

About N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (PubChem CID 51998872) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
PubChem CID51998872
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cccc(COc3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C26H24N4O3/c1-2-25(31)28-24-17-23(29-30(24)21-12-5-3-6-13-21)26(32)27-20-11-9-10-19(16-20)18-33-22-14-7-4-8-15-22/h3-17H,2,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyONMCOXXQNNBPPT-UHFFFAOYSA-N
XLogP5.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-[[1-phenyl-5-(propanoylamino)pyrazole-3-carbonyl]amino]benzoate
CID 51998847
N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998925
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
N-[3-(3-chlorophenyl)-1-phenylpyrazol-5-yl]-2-phenoxyacetamide
CID 50802676
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944264

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (CID 51998872) is N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is CCC(=O)Nc1cc(C(=O)Nc2cccc(COc3ccccc3)c2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The InChIKey is ONMCOXXQNNBPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-25(31)28-24-17-23(29-30(24)21-12-5-3-6-13-21)26(32)27-20-11-9-10-19(16-20)18-33-22-14-7-4-8-15-22/h3-17H,2,18H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).