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

C11H13BrClN5O — CID 19322755

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2c(Cl)cnn2C)cc1Br
InChIInChI=1S/C11H13BrClN5O/c1-7-8(12)5-18(16-7)6-11(19)14-4-10-9(13)3-15-17(10)2/h3,5H,4,6H2,1-2H3,(H,14,19)
InChIKeyCXTAIMBKUPEAFV-UHFFFAOYSA-N
MW346.62 g/mol
LogP1.66
Rot. Bonds4

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide (PubChem CID 19322755) has the molecular formula C11H13BrClN5O and a molecular weight of 346.62 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
PubChem CID19322755
Molecular FormulaC11H13BrClN5O
Molecular Weight346.62 g/mol
Exact Mass345.00
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2c(Cl)cnn2C)cc1Br
InChIInChI=1S/C11H13BrClN5O/c1-7-8(12)5-18(16-7)6-11(19)14-4-10-9(13)3-15-17(10)2/h3,5H,4,6H2,1-2H3,(H,14,19)
InChIKeyCXTAIMBKUPEAFV-UHFFFAOYSA-N
XLogP1.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282200
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 19517152
2-(4-bromo-3-methylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 19517100
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322836
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19322734
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
CID 19296614
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
CID 19337042

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide (CID 19322755) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide is Cc1nn(CC(=O)NCc2c(Cl)cnn2C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide?
The InChIKey is CXTAIMBKUPEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN5O/c1-7-8(12)5-18(16-7)6-11(19)14-4-10-9(13)3-15-17(10)2/h3,5H,4,6H2,1-2H3,(H,14,19).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide has a molecular weight of 346.62 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 19322755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).