2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide

C13H18BrN5O — CID 19294705

IUPAC2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1nccc1CNC(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H18BrN5O/c1-4-18-11(5-6-16-18)8-15-12(20)13(2,3)19-9-10(14)7-17-19/h5-7,9H,4,8H2,1-3H3,(H,15,20)
InChIKeyNLTGCPRWUKTBAW-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide

2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide (PubChem CID 19294705) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
PubChem CID19294705
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1nccc1CNC(=O)C(C)(C)n1cc(Br)cn1
InChIInChI=1S/C13H18BrN5O/c1-4-18-11(5-6-16-18)8-15-12(20)13(2,3)19-9-10(14)7-17-19/h5-7,9H,4,8H2,1-3H3,(H,15,20)
InChIKeyNLTGCPRWUKTBAW-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294693
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294580
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965183
2-(4-chloropyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,2-dimethylpropanamide
CID 19454404

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide (CID 19294705) is 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide is CCn1nccc1CNC(=O)C(C)(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The InChIKey is NLTGCPRWUKTBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-4-18-11(5-6-16-18)8-15-12(20)13(2,3)19-9-10(14)7-17-19/h5-7,9H,4,8H2,1-3H3,(H,15,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide?
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide has a molecular weight of 340.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 19294705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).