3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

C17H16BrClFN5O — CID 19566282

IUPAC3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16BrClFN5O/c1-11(7-24-9-13(18)6-21-24)17(26)22-16-15(19)10-25(23-16)8-12-2-4-14(20)5-3-12/h2-6,9-11H,7-8H2,1H3,(H,22,23,26)
InChIKeyYKVXHOZDSFWLGT-UHFFFAOYSA-N
MW440.70 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 19566282) has the molecular formula C17H16BrClFN5O and a molecular weight of 440.70 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
PubChem CID19566282
Molecular FormulaC17H16BrClFN5O
Molecular Weight440.70 g/mol
Exact Mass439.02
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16BrClFN5O/c1-11(7-24-9-13(18)6-21-24)17(26)22-16-15(19)10-25(23-16)8-12-2-4-14(20)5-3-12/h2-6,9-11H,7-8H2,1H3,(H,22,23,26)
InChIKeyYKVXHOZDSFWLGT-UHFFFAOYSA-N
XLogP3.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19570526
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19566225
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19347331
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19284399
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537649
1-[1-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505037
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
4-[[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutanoic acid
CID 39853514
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19407361
3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4-chlorobenzoic acid
CID 4867417
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (CID 19566282) is 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is CC(Cn1cc(Br)cn1)C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is YKVXHOZDSFWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN5O/c1-11(7-24-9-13(18)6-21-24)17(26)22-16-15(19)10-25(23-16)8-12-2-4-14(20)5-3-12/h2-6,9-11H,7-8H2,1H3,(H,22,23,26).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 440.70 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 19566282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).