3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide

C13H20N4O — CID 64524412

IUPAC3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)15-13(18)11-6-12(14)17-16-11/h6-10H,2-5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyFTJBLLHWEHXOCJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524412) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64524412
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)15-13(18)11-6-12(14)17-16-11/h6-10H,2-5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyFTJBLLHWEHXOCJ-UHFFFAOYSA-N
XLogP1.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514501
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509390
3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
CID 61093321
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]acetamide
CID 98495357
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dibromothiophene-2-carboxamide
CID 98074257
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120616369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide (CID 64524412) is 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(N)n[nH]1)C1CC2CCC1C2.
What is the InChIKey of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FTJBLLHWEHXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)15-13(18)11-6-12(14)17-16-11/h6-10H,2-5H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).