4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide

C13H18BrN5O — CID 19476841

IUPAC4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2c(Br)cnn2CC)n1
InChIInChI=1S/C13H18BrN5O/c1-4-18-7-6-11(17-18)9(3)16-13(20)12-10(14)8-15-19(12)5-2/h6-9H,4-5H2,1-3H3,(H,16,20)
InChIKeyXLWZYERARDKCSD-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.37
Rot. Bonds5

About 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide

4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 19476841) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
PubChem CID19476841
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2c(Br)cnn2CC)n1
InChIInChI=1S/C13H18BrN5O/c1-4-18-7-6-11(17-18)9(3)16-13(20)12-10(14)8-15-19(12)5-2/h6-9H,4-5H2,1-3H3,(H,16,20)
InChIKeyXLWZYERARDKCSD-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491892
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19554061
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522974
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
4-bromo-N-[1-(cyanomethyl)pyrazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 95754828
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19456577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide (CID 19476841) is 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide is CCn1ccc(C(C)NC(=O)c2c(Br)cnn2CC)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is XLWZYERARDKCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-4-18-7-6-11(17-18)9(3)16-13(20)12-10(14)8-15-19(12)5-2/h6-9H,4-5H2,1-3H3,(H,16,20).
What are the key properties of 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 340.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19476841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).