(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide

C28H29N3O — CID 6015299

IUPAC(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O/c32-27(25(24-9-5-2-6-10-24)16-20-7-3-1-4-8-20)29-26-11-12-31(30-26)28-17-21-13-22(18-28)15-23(14-21)19-28/h1-12,16,21-23H,13-15,17-19H2,(H,29,30,32)/b25-16-
InChIKeyNHVSDJAFDFDTJJ-XYGWBWBKSA-N
MW423.56 g/mol
LogP5.99
Rot. Bonds5

About (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide

(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide (PubChem CID 6015299) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide
PubChem CID6015299
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O/c32-27(25(24-9-5-2-6-10-24)16-20-7-3-1-4-8-20)29-26-11-12-31(30-26)28-17-21-13-22(18-28)15-23(14-21)19-28/h1-12,16,21-23H,13-15,17-19H2,(H,29,30,32)/b25-16-
InChIKeyNHVSDJAFDFDTJJ-XYGWBWBKSA-N
XLogP5.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589079
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589164
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
2,2-dimethyl-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315908
N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11566992

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide (CID 6015299) is (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide is O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
The InChIKey is NHVSDJAFDFDTJJ-XYGWBWBKSA-N. The full InChI is InChI=1S/C28H29N3O/c32-27(25(24-9-5-2-6-10-24)16-20-7-3-1-4-8-20)29-26-11-12-31(30-26)28-17-21-13-22(18-28)15-23(14-21)19-28/h1-12,16,21-23H,13-15,17-19H2,(H,29,30,32)/b25-16-.
What are the key properties of (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide?
(Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide has a molecular weight of 423.56 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1-adamantyl)pyrazol-3-yl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6015299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).