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

C20H25N3O — CID 98750977

IUPACN-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H25N3O/c1-14(19-10-15-7-8-17(19)9-15)22-20(24)11-16-12-21-23(13-16)18-5-3-2-4-6-18/h2-6,12-15,17,19H,7-11H2,1H3,(H,22,24)/t14-,15-,17-,19+/m0/s1
InChIKeyFOTRPQNJJTWSOL-RIVXBTQJSA-N
MW323.44 g/mol
LogP3.36
Rot. Bonds5

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

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 98750977) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID98750977
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H25N3O/c1-14(19-10-15-7-8-17(19)9-15)22-20(24)11-16-12-21-23(13-16)18-5-3-2-4-6-18/h2-6,12-15,17,19H,7-11H2,1H3,(H,22,24)/t14-,15-,17-,19+/m0/s1
InChIKeyFOTRPQNJJTWSOL-RIVXBTQJSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
CID 98785968
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798191
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 98284311
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 98161251
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 98078737
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 98431117
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1-methylindol-3-yl)propanamide
CID 124828756
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 98375689
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 98750977) is N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is FOTRPQNJJTWSOL-RIVXBTQJSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(19-10-15-7-8-17(19)9-15)22-20(24)11-16-12-21-23(13-16)18-5-3-2-4-6-18/h2-6,12-15,17,19H,7-11H2,1H3,(H,22,24)/t14-,15-,17-,19+/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 98750977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).