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

C15H22BrN5O — CID 19533467

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1ncc(C(C)NC(=O)C(C)n2cc(Br)c(C)n2)c1C
InChIInChI=1S/C15H22BrN5O/c1-6-20-11(4)13(7-17-20)9(2)18-15(22)12(5)21-8-14(16)10(3)19-21/h7-9,12H,6H2,1-5H3,(H,18,22)
InChIKeyNBMYSJWPTXIACZ-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.92
Rot. Bonds5

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 19533467) has the molecular formula C15H22BrN5O and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID19533467
Molecular FormulaC15H22BrN5O
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
SMILESCCn1ncc(C(C)NC(=O)C(C)n2cc(Br)c(C)n2)c1C
InChIInChI=1S/C15H22BrN5O/c1-6-20-11(4)13(7-17-20)9(2)18-15(22)12(5)21-8-14(16)10(3)19-21/h7-9,12H,6H2,1-5H3,(H,18,22)
InChIKeyNBMYSJWPTXIACZ-UHFFFAOYSA-N
XLogP2.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
1-[1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624355
2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 17020886
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
4-bromo-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 19475122
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
CID 17267001
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
CID 19460376
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19469043
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide (CID 19533467) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide is CCn1ncc(C(C)NC(=O)C(C)n2cc(Br)c(C)n2)c1C.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is NBMYSJWPTXIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5O/c1-6-20-11(4)13(7-17-20)9(2)18-15(22)12(5)21-8-14(16)10(3)19-21/h7-9,12H,6H2,1-5H3,(H,18,22).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 368.28 g/mol, XLogP of 2.92, 5 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-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 19533467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).