4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide

C13H18BrN5O — CID 19475122

IUPAC4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2c(Br)cnn2C)c1C
InChIInChI=1S/C13H18BrN5O/c1-5-19-9(3)10(6-16-19)8(2)17-13(20)12-11(14)7-15-18(12)4/h6-8H,5H2,1-4H3,(H,17,20)
InChIKeyXPJDRFGMRRRILW-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.20
Rot. Bonds4

About 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide

4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475122) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID19475122
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2c(Br)cnn2C)c1C
InChIInChI=1S/C13H18BrN5O/c1-5-19-9(3)10(6-16-19)8(2)17-13(20)12-11(14)7-15-18(12)4/h6-8H,5H2,1-4H3,(H,17,20)
InChIKeyXPJDRFGMRRRILW-UHFFFAOYSA-N
XLogP2.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 19475064
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
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N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 146131311
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
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2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
CID 19533467
3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491787
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 19475122) is 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide is CCn1ncc(C(C)NC(=O)c2c(Br)cnn2C)c1C.
What is the InChIKey of 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is XPJDRFGMRRRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-5-19-9(3)10(6-16-19)8(2)17-13(20)12-11(14)7-15-18(12)4/h6-8H,5H2,1-4H3,(H,17,20).
What are the key properties of 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide?
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 340.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).