N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide

C16H25N3O — CID 72718776

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)15(20)17-8-9-19-14(12-6-7-12)10-13(18-19)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyBKUISJIHUIBWGG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 72718776) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID72718776
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)15(20)17-8-9-19-14(12-6-7-12)10-13(18-19)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyBKUISJIHUIBWGG-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide (CID 72718776) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is BKUISJIHUIBWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)15(20)17-8-9-19-14(12-6-7-12)10-13(18-19)11-4-5-11/h10-12H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 72718776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).