N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide

C24H25N3O — CID 22176967

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
SMILESCc1ccc(C(=CCC(=O)Nc2cc(C3CC3)[nH]n2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-16-3-7-18(8-4-16)21(19-9-5-17(2)6-10-19)13-14-24(28)25-23-15-22(26-27-23)20-11-12-20/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyWZRJQGXYSNRLFG-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.36
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide (PubChem CID 22176967) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
PubChem CID22176967
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
SMILESCc1ccc(C(=CCC(=O)Nc2cc(C3CC3)[nH]n2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-16-3-7-18(8-4-16)21(19-9-5-17(2)6-10-19)13-14-24(28)25-23-15-22(26-27-23)20-11-12-20/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyWZRJQGXYSNRLFG-UHFFFAOYSA-N
XLogP5.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide (CID 22176967) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide is Cc1ccc(C(=CCC(=O)Nc2cc(C3CC3)[nH]n2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide?
The InChIKey is WZRJQGXYSNRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16-3-7-18(8-4-16)21(19-9-5-17(2)6-10-19)13-14-24(28)25-23-15-22(26-27-23)20-11-12-20/h3-10,13,15,20H,11-12,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide has a molecular weight of 371.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide is sourced from PubChem (CID 22176967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).