4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide

C12H15BrClN5O — CID 19480524

IUPAC4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2cc(Cl)cn2)c1Br
InChIInChI=1S/C12H15BrClN5O/c1-8-10(13)11(18(2)17-8)12(20)15-4-3-5-19-7-9(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20)
InChIKeyVQKJHBYHBJSPDB-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.16
Rot. Bonds5

About 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480524) has the molecular formula C12H15BrClN5O and a molecular weight of 360.64 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480524
Molecular FormulaC12H15BrClN5O
Molecular Weight360.64 g/mol
Exact Mass359.01
IUPAC Name4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2cc(Cl)cn2)c1Br
InChIInChI=1S/C12H15BrClN5O/c1-8-10(13)11(18(2)17-8)12(20)15-4-3-5-19-7-9(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20)
InChIKeyVQKJHBYHBJSPDB-UHFFFAOYSA-N
XLogP2.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]butanoyl chloride
CID 19480401
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
CID 19475156
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19328080
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide (CID 19480524) is 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCCn2cc(Cl)cn2)c1Br.
What is the InChIKey of 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is VQKJHBYHBJSPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5O/c1-8-10(13)11(18(2)17-8)12(20)15-4-3-5-19-7-9(14)6-16-19/h6-7H,3-5H2,1-2H3,(H,15,20).
What are the key properties of 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 360.64 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).