N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide

C28H24N6O2 — CID 19281414

IUPACN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C28H24N6O2/c1-2-33-25(16-17-29-33)28(36)31-22-13-9-12-21(18-22)30-27(35)24-19-34(23-14-7-4-8-15-23)32-26(24)20-10-5-3-6-11-20/h3-19H,2H2,1H3,(H,30,35)(H,31,36)
InChIKeyDSJINHUVCBWHMW-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.26
Rot. Bonds7

About N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281414) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281414
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C28H24N6O2/c1-2-33-25(16-17-29-33)28(36)31-22-13-9-12-21(18-22)30-27(35)24-19-34(23-14-7-4-8-15-23)32-26(24)20-10-5-3-6-11-20/h3-19H,2H2,1H3,(H,30,35)(H,31,36)
InChIKeyDSJINHUVCBWHMW-UHFFFAOYSA-N
XLogP5.26
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281414) is N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is DSJINHUVCBWHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-33-25(16-17-29-33)28(36)31-22-13-9-12-21(18-22)30-27(35)24-19-34(23-14-7-4-8-15-23)32-26(24)20-10-5-3-6-11-20/h3-19H,2H2,1H3,(H,30,35)(H,31,36).
What are the key properties of N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).