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

C15H23N3O — CID 5111812

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C15H23N3O/c1-3-18-9-13(8-16-18)15(19)17-10(2)14-7-11-4-5-12(14)6-11/h8-12,14H,3-7H2,1-2H3,(H,17,19)
InChIKeyAHIUPZDUWBFBLO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 5111812) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID5111812
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C15H23N3O/c1-3-18-9-13(8-16-18)15(19)17-10(2)14-7-11-4-5-12(14)6-11/h8-12,14H,3-7H2,1-2H3,(H,17,19)
InChIKeyAHIUPZDUWBFBLO-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
N-[1-(1-adamantyl)ethyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 3424399
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 4248185
N-(4-cyclohexyl-1,1-difluoro-2-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 69122518
N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
CID 157291845
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 45806586
1-methyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914232
1-methyl-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914233
1-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914234
1-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914235
N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide
CID 154760494
1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 154833685

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide (CID 5111812) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)C2CC3CCC2C3)cn1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is AHIUPZDUWBFBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18-9-13(8-16-18)15(19)17-10(2)14-7-11-4-5-12(14)6-11/h8-12,14H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.46, 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-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 5111812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).