(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

C25H20N4O4 — CID 70686232

IUPAC(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9-
InChIKeyLVQGYOAKAHMPNK-SXGWCWSVSA-N
MW440.46 g/mol
LogP5.11
Rot. Bonds7

About (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 70686232) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID70686232
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9-
InChIKeyLVQGYOAKAHMPNK-SXGWCWSVSA-N
XLogP5.11
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-nitrobenzamide
CID 2091029
4-{3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]acryloyl}morpholine
CID 2178024
2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]acrylamide
CID 2218141
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-acrylamide
CID 16546564
(E)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylamide
CID 24979204
(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24980431
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25162147
1-(4-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327058

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 70686232) is (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is LVQGYOAKAHMPNK-SXGWCWSVSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9-.
What are the key properties of (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 440.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 70686232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).