2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide

C22H20ClN5O — CID 47014475

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCn1ccnc1
InChIInChI=1S/C22H20ClN5O/c23-19-8-6-17(7-9-19)22-18(15-28(26-22)20-4-2-1-3-5-20)14-21(29)25-11-13-27-12-10-24-16-27/h1-10,12,15-16H,11,13-14H2,(H,25,29)
InChIKeyBPVQDUPVFQRGKT-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide (PubChem CID 47014475) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
PubChem CID47014475
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCn1ccnc1
InChIInChI=1S/C22H20ClN5O/c23-19-8-6-17(7-9-19)22-18(15-28(26-22)20-4-2-1-3-5-20)14-21(29)25-11-13-27-12-10-24-16-27/h1-10,12,15-16H,11,13-14H2,(H,25,29)
InChIKeyBPVQDUPVFQRGKT-UHFFFAOYSA-N
XLogP3.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
CID 67048003
CID 67048003
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 34258914
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide (CID 47014475) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide is O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCn1ccnc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide?
The InChIKey is BPVQDUPVFQRGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-19-8-6-17(7-9-19)22-18(15-28(26-22)20-4-2-1-3-5-20)14-21(29)25-11-13-27-12-10-24-16-27/h1-10,12,15-16H,11,13-14H2,(H,25,29).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide has a molecular weight of 405.89 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide is sourced from PubChem (CID 47014475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).