2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C16H14BrClFN5O — CID 19517859

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(Br)cnn1CC(=O)Nc1nn(Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H14BrClFN5O/c1-10-13(17)6-20-24(10)9-15(25)21-16-14(18)8-23(22-16)7-11-3-2-4-12(19)5-11/h2-6,8H,7,9H2,1H3,(H,21,22,25)
InChIKeyPQHWTDORCBWFMY-UHFFFAOYSA-N
MW426.68 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19517859) has the molecular formula C16H14BrClFN5O and a molecular weight of 426.68 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19517859
Molecular FormulaC16H14BrClFN5O
Molecular Weight426.68 g/mol
Exact Mass425.01
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(Br)cnn1CC(=O)Nc1nn(Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H14BrClFN5O/c1-10-13(17)6-20-24(10)9-15(25)21-16-14(18)8-23(22-16)7-11-3-2-4-12(19)5-11/h2-6,8H,7,9H2,1H3,(H,21,22,25)
InChIKeyPQHWTDORCBWFMY-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.68
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517832
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524977
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19561511
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517814
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19404266
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541585
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19347272
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19401233

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19517859) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1c(Br)cnn1CC(=O)Nc1nn(Cc2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is PQHWTDORCBWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN5O/c1-10-13(17)6-20-24(10)9-15(25)21-16-14(18)8-23(22-16)7-11-3-2-4-12(19)5-11/h2-6,8H,7,9H2,1H3,(H,21,22,25).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 426.68 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).