3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide

C13H18BrN5O2 — CID 19565773

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
SMILESCCOCn1cc(NC(=O)CCn2cc(Br)c(C)n2)cn1
InChIInChI=1S/C13H18BrN5O2/c1-3-21-9-19-7-11(6-15-19)16-13(20)4-5-18-8-12(14)10(2)17-18/h6-8H,3-5,9H2,1-2H3,(H,16,20)
InChIKeyGLRYJZGIIQBZPD-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.17
Rot. Bonds7

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide (PubChem CID 19565773) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
PubChem CID19565773
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
SMILESCCOCn1cc(NC(=O)CCn2cc(Br)c(C)n2)cn1
InChIInChI=1S/C13H18BrN5O2/c1-3-21-9-19-7-11(6-15-19)16-13(20)4-5-18-8-12(14)10(2)17-18/h6-8H,3-5,9H2,1-2H3,(H,16,20)
InChIKeyGLRYJZGIIQBZPD-UHFFFAOYSA-N
XLogP2.17
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470809
N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19566063
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262933
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266362
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19529803
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478554

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide (CID 19565773) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide is CCOCn1cc(NC(=O)CCn2cc(Br)c(C)n2)cn1.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The InChIKey is GLRYJZGIIQBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-3-21-9-19-7-11(6-15-19)16-13(20)4-5-18-8-12(14)10(2)17-18/h6-8H,3-5,9H2,1-2H3,(H,16,20).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide has a molecular weight of 356.22 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19565773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).