2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide

C22H16BrN5O — CID 108747436

IUPAC2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H16BrN5O/c1-14-10-20(26-19-5-3-2-4-18(14)19)28-22(16(12-24)13-25-28)27-21(29)11-15-6-8-17(23)9-7-15/h2-10,13H,11H2,1H3,(H,27,29)
InChIKeyRPRBFPWSIQFWKH-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide

2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 108747436) has the molecular formula C22H16BrN5O and a molecular weight of 446.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
PubChem CID108747436
Molecular FormulaC22H16BrN5O
Molecular Weight446.31 g/mol
Exact Mass445.05
IUPAC Name2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H16BrN5O/c1-14-10-20(26-19-5-3-2-4-18(14)19)28-22(16(12-24)13-25-28)27-21(29)11-15-6-8-17(23)9-7-15/h2-10,13H,11H2,1H3,(H,27,29)
InChIKeyRPRBFPWSIQFWKH-UHFFFAOYSA-N
XLogP4.54
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108746813
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747345
3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108802409
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
CID 108769540
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
2-tert-butyl-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108769496
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108747417
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301764
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide (CID 108747436) is 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide is Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is RPRBFPWSIQFWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN5O/c1-14-10-20(26-19-5-3-2-4-18(14)19)28-22(16(12-24)13-25-28)27-21(29)11-15-6-8-17(23)9-7-15/h2-10,13H,11H2,1H3,(H,27,29).
What are the key properties of 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide?
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 446.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 108747436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).