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

C13H18BrN5O — CID 19292814

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCn2cc(Br)c(C)n2)n(C)n1
InChIInChI=1S/C13H18BrN5O/c1-9-6-11(18(3)16-9)7-15-13(20)4-5-19-8-12(14)10(2)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,20)
InChIKeySQFRRTJDBWFREN-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.70
Rot. Bonds5

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

3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide (PubChem CID 19292814) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
PubChem CID19292814
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCn2cc(Br)c(C)n2)n(C)n1
InChIInChI=1S/C13H18BrN5O/c1-9-6-11(18(3)16-9)7-15-13(20)4-5-19-8-12(14)10(2)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,20)
InChIKeySQFRRTJDBWFREN-UHFFFAOYSA-N
XLogP1.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide (CID 19292814) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide is Cc1cc(CNC(=O)CCn2cc(Br)c(C)n2)n(C)n1.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is SQFRRTJDBWFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-9-6-11(18(3)16-9)7-15-13(20)4-5-19-8-12(14)10(2)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,20).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 340.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19292814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).