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

C12H15BrClN5O — CID 19322853

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
SMILESCc1nn(C(C)C(=O)NCc2c(Cl)cnn2C)cc1Br
InChIInChI=1S/C12H15BrClN5O/c1-7-9(13)6-19(17-7)8(2)12(20)15-5-11-10(14)4-16-18(11)3/h4,6,8H,5H2,1-3H3,(H,15,20)
InChIKeyQLTYZGCSMHJZET-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.22
Rot. Bonds4

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide (PubChem CID 19322853) has the molecular formula C12H15BrClN5O and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
PubChem CID19322853
Molecular FormulaC12H15BrClN5O
Molecular Weight360.64 g/mol
Exact Mass359.01
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
SMILESCc1nn(C(C)C(=O)NCc2c(Cl)cnn2C)cc1Br
InChIInChI=1S/C12H15BrClN5O/c1-7-9(13)6-19(17-7)8(2)12(20)15-5-11-10(14)4-16-18(11)3/h4,6,8H,5H2,1-3H3,(H,15,20)
InChIKeyQLTYZGCSMHJZET-UHFFFAOYSA-N
XLogP2.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
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CID 17020886
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
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2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410039
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19533439
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide (CID 19322853) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide is Cc1nn(C(C)C(=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]propanamide?
The InChIKey is QLTYZGCSMHJZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5O/c1-7-9(13)6-19(17-7)8(2)12(20)15-5-11-10(14)4-16-18(11)3/h4,6,8H,5H2,1-3H3,(H,15,20).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide has a molecular weight of 360.64 g/mol, XLogP of 2.22, 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]propanamide is sourced from PubChem (CID 19322853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).