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

C25H21N3O2 — CID 70694590

IUPAC(Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14-
InChIKeyRXVPAYBMKVXTLL-VKAVYKQESA-N
MW395.46 g/mol
LogP5.20
Rot. Bonds6

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

(Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (PubChem CID 70694590) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
PubChem CID70694590
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14-
InChIKeyRXVPAYBMKVXTLL-VKAVYKQESA-N
XLogP5.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (CID 70694590) is (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The InChIKey is RXVPAYBMKVXTLL-VKAVYKQESA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14-.
What are the key properties of (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
(Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide has a molecular weight of 395.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 70694590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).