2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

C15H27N3O — CID 102322542

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)8-17(9-12(3)4)15(19)10-18-14(6)7-13(5)16-18/h7,11-12H,8-10H2,1-6H3
InChIKeyLNTHJBWYGLSMBH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 102322542) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID102322542
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)8-17(9-12(3)4)15(19)10-18-14(6)7-13(5)16-18/h7,11-12H,8-10H2,1-6H3
InChIKeyLNTHJBWYGLSMBH-UHFFFAOYSA-N
XLogP2.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
3-[benzyl-[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 75428850
N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 58780641
methyl 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-ethylamino]propanoate
CID 54899031
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 81484328
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347603
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 113346964
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (CID 102322542) is 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is Cc1cc(C)n(CC(=O)N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is LNTHJBWYGLSMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)8-17(9-12(3)4)15(19)10-18-14(6)7-13(5)16-18/h7,11-12H,8-10H2,1-6H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 102322542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).