[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C19H20BrN5O — CID 35327198

IUPAC[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1Br
InChIInChI=1S/C19H20BrN5O/c1-13-18(20)14(2)25(21-13)12-23-11-9-16(22-23)19(26)24-10-5-7-15-6-3-4-8-17(15)24/h3-4,6,8-9,11H,5,7,10,12H2,1-2H3
InChIKeyRDLZWGZHFFIBPP-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.56
Rot. Bonds3

About [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 35327198) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID35327198
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC Name[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1Br
InChIInChI=1S/C19H20BrN5O/c1-13-18(20)14(2)25(21-13)12-23-11-9-16(22-23)19(26)24-10-5-7-15-6-3-4-8-17(15)24/h3-4,6,8-9,11H,5,7,10,12H2,1-2H3
InChIKeyRDLZWGZHFFIBPP-UHFFFAOYSA-N
XLogP3.56
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472375
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 35327127
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109189267
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 35327198) is [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1nn(Cn2ccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1Br.
What is the InChIKey of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RDLZWGZHFFIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-13-18(20)14(2)25(21-13)12-23-11-9-16(22-23)19(26)24-10-5-7-15-6-3-4-8-17(15)24/h3-4,6,8-9,11H,5,7,10,12H2,1-2H3.
What are the key properties of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 414.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 35327198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).