N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C26H24N4O3 — CID 38396952

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1
InChIInChI=1S/C26H24N4O3/c1-18-8-6-9-19(14-18)25-23(16-30(29-25)22-12-4-3-5-13-22)26(32)28-21-11-7-10-20(15-21)27-24(31)17-33-2/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyKLYXBTUIEBJZBI-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.68
Rot. Bonds7

About N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 38396952) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID38396952
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1
InChIInChI=1S/C26H24N4O3/c1-18-8-6-9-19(14-18)25-23(16-30(29-25)22-12-4-3-5-13-22)26(32)28-21-11-7-10-20(15-21)27-24(31)17-33-2/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyKLYXBTUIEBJZBI-UHFFFAOYSA-N
XLogP4.68
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 32942890
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
CID 38746104
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281414
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55522864

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 38396952) is N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KLYXBTUIEBJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-8-6-9-19(14-18)25-23(16-30(29-25)22-12-4-3-5-13-22)26(32)28-21-11-7-10-20(15-21)27-24(31)17-33-2/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 38396952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).