1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide

C24H38N4O3 — CID 25169090

IUPAC1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide
SMILESCCCC1C2CCC(C2)C1NC(=O)c1cnn(/C=C/C(C)(C)NC(C)=O)c1OC(C)C
InChIInChI=1S/C24H38N4O3/c1-7-8-19-17-9-10-18(13-17)21(19)26-22(30)20-14-25-28(23(20)31-15(2)3)12-11-24(5,6)27-16(4)29/h11-12,14-15,17-19,21H,7-10,13H2,1-6H3,(H,26,30)(H,27,29)/b12-11+
InChIKeyFOZVCYUANPMGDM-VAWYXSNFSA-N
MW430.59 g/mol
LogP4.00
Rot. Bonds9

About 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide

1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide (PubChem CID 25169090) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide
PubChem CID25169090
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide
SMILESCCCC1C2CCC(C2)C1NC(=O)c1cnn(/C=C/C(C)(C)NC(C)=O)c1OC(C)C
InChIInChI=1S/C24H38N4O3/c1-7-8-19-17-9-10-18(13-17)21(19)26-22(30)20-14-25-28(23(20)31-15(2)3)12-11-24(5,6)27-16(4)29/h11-12,14-15,17-19,21H,7-10,13H2,1-6H3,(H,26,30)(H,27,29)/b12-11+
InChIKeyFOZVCYUANPMGDM-VAWYXSNFSA-N
XLogP4.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide (CID 25169090) is 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide is CCCC1C2CCC(C2)C1NC(=O)c1cnn(/C=C/C(C)(C)NC(C)=O)c1OC(C)C.
What is the InChIKey of 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide?
The InChIKey is FOZVCYUANPMGDM-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-7-8-19-17-9-10-18(13-17)21(19)26-22(30)20-14-25-28(23(20)31-15(2)3)12-11-24(5,6)27-16(4)29/h11-12,14-15,17-19,21H,7-10,13H2,1-6H3,(H,26,30)(H,27,29)/b12-11+.
What are the key properties of 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide?
1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-acetamido-3-methylbut-1-enyl]-5-propan-2-yloxy-N-(3-propyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25169090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).