N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide

C16H25N3O — CID 4248185

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC(C)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H25N3O/c1-4-19-11(3)15(9-17-19)16(20)18-10(2)14-8-12-5-6-13(14)7-12/h9-10,12-14H,4-8H2,1-3H3,(H,18,20)
InChIKeyOBRRZUIRBODTHG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 4248185) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID4248185
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC(C)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H25N3O/c1-4-19-11(3)15(9-17-19)16(20)18-10(2)14-8-12-5-6-13(14)7-12/h9-10,12-14H,4-8H2,1-3H3,(H,18,20)
InChIKeyOBRRZUIRBODTHG-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 4248185) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)NC(C)C2CC3CCC2C3)c1C.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is OBRRZUIRBODTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19-11(3)15(9-17-19)16(20)18-10(2)14-8-12-5-6-13(14)7-12/h9-10,12-14H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4248185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).