N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide

C19H23N3O — CID 166368495

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
SMILESCC(NC(=O)c1cccc(-c2ccn[nH]2)c1)C1CC2CCC1C2
InChIInChI=1S/C19H23N3O/c1-12(17-10-13-5-6-14(17)9-13)21-19(23)16-4-2-3-15(11-16)18-7-8-20-22-18/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKFRLCYBDRKFFAO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 166368495) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
PubChem CID166368495
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
SMILESCC(NC(=O)c1cccc(-c2ccn[nH]2)c1)C1CC2CCC1C2
InChIInChI=1S/C19H23N3O/c1-12(17-10-13-5-6-14(17)9-13)21-19(23)16-4-2-3-15(11-16)18-7-8-20-22-18/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKFRLCYBDRKFFAO-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325579
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 46559723
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63864595
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 98289837

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide (CID 166368495) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide is CC(NC(=O)c1cccc(-c2ccn[nH]2)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is KFRLCYBDRKFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12(17-10-13-5-6-14(17)9-13)21-19(23)16-4-2-3-15(11-16)18-7-8-20-22-18/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 166368495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).