N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide

C15H18ClN3O — CID 166236553

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN3O/c1-3-19-10-12(9-17-19)8-15(20)18-11(2)13-4-6-14(16)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNJMWCCKRXQKQRW-NSHDSACASA-N
MW291.78 g/mol
LogP2.98
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 166236553) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
PubChem CID166236553
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H18ClN3O/c1-3-19-10-12(9-17-19)8-15(20)18-11(2)13-4-6-14(16)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNJMWCCKRXQKQRW-NSHDSACASA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648459
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
N-[1-(4-chlorophenyl)ethyl]-4-(4-nitropyrazol-1-yl)butanamide
CID 178068162
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide (CID 166236553) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is NJMWCCKRXQKQRW-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-19-10-12(9-17-19)8-15(20)18-11(2)13-4-6-14(16)7-5-13/h4-7,9-11H,3,8H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166236553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).