2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide

C19H21BrFN5O — CID 19409821

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C19H21BrFN5O/c1-12-17(23-18(27)19(3,4)26-11-15(20)9-22-26)13(2)25(24-12)10-14-5-7-16(21)8-6-14/h5-9,11H,10H2,1-4H3,(H,23,27)
InChIKeyIPDMSPAMOHCKAC-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide

2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (PubChem CID 19409821) has the molecular formula C19H21BrFN5O and a molecular weight of 434.31 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
PubChem CID19409821
Molecular FormulaC19H21BrFN5O
Molecular Weight434.31 g/mol
Exact Mass433.09
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C19H21BrFN5O/c1-12-17(23-18(27)19(3,4)26-11-15(20)9-22-26)13(2)25(24-12)10-14-5-7-16(21)8-6-14/h5-9,11H,10H2,1-4H3,(H,23,27)
InChIKeyIPDMSPAMOHCKAC-UHFFFAOYSA-N
XLogP4.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19408238
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19341361
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19409753
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 1235990
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19411981
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19407361
2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
2-(4-bromopyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19405897
methyl 2-[[4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406835
1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19447780

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide (CID 19409821) is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C(C)(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
The InChIKey is IPDMSPAMOHCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN5O/c1-12-17(23-18(27)19(3,4)26-11-15(20)9-22-26)13(2)25(24-12)10-14-5-7-16(21)8-6-14/h5-9,11H,10H2,1-4H3,(H,23,27).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide has a molecular weight of 434.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 19409821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).