N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide

C15H27N3O — CID 58780641

IUPACN-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)n(CC(=O)N(CC(C)(C)C)C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)17(10-15(5,6)7)14(19)9-18-13(4)8-12(3)16-18/h8,11H,9-10H2,1-7H3
InChIKeyFSVXCUYXEOJRCD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide

N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 58780641) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID58780641
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)n(CC(=O)N(CC(C)(C)C)C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)17(10-15(5,6)7)14(19)9-18-13(4)8-12(3)16-18/h8,11H,9-10H2,1-7H3
InChIKeyFSVXCUYXEOJRCD-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 113346964
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-propan-2-ylamino]acetic acid
CID 60830854
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43572951
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
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 86792716
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
3-[benzyl-[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 75428850

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide (CID 58780641) is N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide is Cc1cc(C)n(CC(=O)N(CC(C)(C)C)C(C)C)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is FSVXCUYXEOJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)17(10-15(5,6)7)14(19)9-18-13(4)8-12(3)16-18/h8,11H,9-10H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide?
N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 265.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 58780641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).