N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C21H22N4O2 — CID 119455183

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(23-16-11-14-8-9-15(12-16)22-14)19-13-18(20-7-4-10-27-20)24-25(19)17-5-2-1-3-6-17/h1-7,10,13-16,22H,8-9,11-12H2,(H,23,26)
InChIKeyXEWYQVYOHVRINF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.15
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 119455183) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID119455183
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-21(23-16-11-14-8-9-15(12-16)22-14)19-13-18(20-7-4-10-27-20)24-25(19)17-5-2-1-3-6-17/h1-7,10,13-16,22H,8-9,11-12H2,(H,23,26)
InChIKeyXEWYQVYOHVRINF-UHFFFAOYSA-N
XLogP3.15
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
CID 120577727
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 120944023
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55958899
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 119455183) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is XEWYQVYOHVRINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(23-16-11-14-8-9-15(12-16)22-14)19-13-18(20-7-4-10-27-20)24-25(19)17-5-2-1-3-6-17/h1-7,10,13-16,22H,8-9,11-12H2,(H,23,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 119455183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).