2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide

C14H20BrN5O — CID 19575088

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1ncc(CN(C)C(=O)Cn2ncc(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-10(2)12(6-16-19)8-18(4)14(21)9-20-11(3)13(15)7-17-20/h6-7H,5,8-9H2,1-4H3
InChIKeyPLLPJPVRDNIYLO-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 19575088) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID19575088
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1ncc(CN(C)C(=O)Cn2ncc(Br)c2C)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-10(2)12(6-16-19)8-18(4)14(21)9-20-11(3)13(15)7-17-20/h6-7H,5,8-9H2,1-4H3
InChIKeyPLLPJPVRDNIYLO-UHFFFAOYSA-N
XLogP2.14
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531074
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19460342
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
2-(4-bromo-5-methylpyrazol-1-yl)acetate
CID 7015020
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434
N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
CID 122131084
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19575645
N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 35682568
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide (CID 19575088) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide is CCn1ncc(CN(C)C(=O)Cn2ncc(Br)c2C)c1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is PLLPJPVRDNIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-5-19-10(2)12(6-16-19)8-18(4)14(21)9-20-11(3)13(15)7-17-20/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 354.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19575088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).