N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

C15H23N3O — CID 98078737

IUPACN-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H23N3O/c1-10-7-16-18(8-10)9-15(19)17-11(2)14-6-12-3-4-13(14)5-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,17,19)/t11-,12-,13-,14-/m1/s1
InChIKeyQGFSIEBOHKKPMW-AAVRWANBSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds4

About N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 98078737) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID98078737
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H23N3O/c1-10-7-16-18(8-10)9-15(19)17-11(2)14-6-12-3-4-13(14)5-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,17,19)/t11-,12-,13-,14-/m1/s1
InChIKeyQGFSIEBOHKKPMW-AAVRWANBSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 98224351
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 6942655
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 110226345
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 98078743
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525490
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516242
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544012
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19549905
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 98078737) is N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1.
What is the InChIKey of N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is QGFSIEBOHKKPMW-AAVRWANBSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-7-16-18(8-10)9-15(19)17-11(2)14-6-12-3-4-13(14)5-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,17,19)/t11-,12-,13-,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 98078737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).