N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide

C21H20ClN3O — CID 51956049

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C21H20ClN3O/c1-15(16-7-9-18(22)10-8-16)25(20-11-12-20)21(26)17-13-23-24(14-17)19-5-3-2-4-6-19/h2-10,13-15,20H,11-12H2,1H3/t15-/m0/s1
InChIKeyVZRPRXBZJJYBRT-HNNXBMFYSA-N
MW365.86 g/mol
LogP4.89
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide (PubChem CID 51956049) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
PubChem CID51956049
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C21H20ClN3O/c1-15(16-7-9-18(22)10-8-16)25(20-11-12-20)21(26)17-13-23-24(14-17)19-5-3-2-4-6-19/h2-10,13-15,20H,11-12H2,1H3/t15-/m0/s1
InChIKeyVZRPRXBZJJYBRT-HNNXBMFYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 95333196
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(2-bromoethyl)-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 80666261
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
N-(2-bromoethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 80665367
1-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539928
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 38832303
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
3-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212309

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide (CID 51956049) is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide is C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VZRPRXBZJJYBRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15(16-7-9-18(22)10-8-16)25(20-11-12-20)21(26)17-13-23-24(14-17)19-5-3-2-4-6-19/h2-10,13-15,20H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 51956049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).