3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

C13H23N3O2 — CID 43572951

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)15(7-8-17)13(18)5-6-16-12(4)9-11(3)14-16/h9-10,17H,5-8H2,1-4H3
InChIKeyYCIGDLIUMFDLLO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.12
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (PubChem CID 43572951) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
PubChem CID43572951
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)15(7-8-17)13(18)5-6-16-12(4)9-11(3)14-16/h9-10,17H,5-8H2,1-4H3
InChIKeyYCIGDLIUMFDLLO-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-propan-2-ylamino]acetic acid
CID 60830854
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
N-(2,2-dimethylpropyl)-2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 58780641
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562628
2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol
CID 2755337
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 86792716
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (CID 43572951) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is Cc1cc(C)n(CCC(=O)N(CCO)C(C)C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is YCIGDLIUMFDLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)15(7-8-17)13(18)5-6-16-12(4)9-11(3)14-16/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43572951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).