2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

C14H24BrN3O — CID 4769388

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)N(CC(C)C)CC(C)C)cc1Br
InChIInChI=1S/C14H24BrN3O/c1-10(2)6-17(7-11(3)4)14(19)9-18-8-13(15)12(5)16-18/h8,10-11H,6-7,9H2,1-5H3
InChIKeyBMBPLZSQBXJOAC-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 4769388) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID4769388
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)N(CC(C)C)CC(C)C)cc1Br
InChIInChI=1S/C14H24BrN3O/c1-10(2)6-17(7-11(3)4)14(19)9-18-8-13(15)12(5)16-18/h8,10-11H,6-7,9H2,1-5H3
InChIKeyBMBPLZSQBXJOAC-UHFFFAOYSA-N
XLogP3.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 19517152
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(4-bromo-3-methylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 19517100
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
4-(4-bromo-3-methylpyrazol-1-yl)but-2-enoic acid
CID 131849851
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282200
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 19517187
ethyl 4-[2-[4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19517364
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (CID 4769388) is 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is Cc1nn(CC(=O)N(CC(C)C)CC(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is BMBPLZSQBXJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-10(2)6-17(7-11(3)4)14(19)9-18-8-13(15)12(5)16-18/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 330.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 4769388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).