4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide

C21H27N3O2 — CID 55381308

IUPAC4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C21H27N3O2/c1-20(2)14-10-11-21(20,3)17(12-14)22-19(25)18-16(26-4)13-24(23-18)15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,22,25)
InChIKeyZOJUHORGURPZND-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.83
Rot. Bonds4

About 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide (PubChem CID 55381308) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
PubChem CID55381308
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C21H27N3O2/c1-20(2)14-10-11-21(20,3)17(12-14)22-19(25)18-16(26-4)13-24(23-18)15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,22,25)
InChIKeyZOJUHORGURPZND-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide (CID 55381308) is 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide?
The InChIKey is ZOJUHORGURPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-20(2)14-10-11-21(20,3)17(12-14)22-19(25)18-16(26-4)13-24(23-18)15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,22,25).
What are the key properties of 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55381308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).