N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide

C12H21N3O — CID 71782926

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C12H21N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyXYRYTNBSRARBBX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide (PubChem CID 71782926) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
PubChem CID71782926
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C12H21N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyXYRYTNBSRARBBX-UHFFFAOYSA-N
XLogP1.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide (CID 71782926) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide is CCCCC(=O)NCCn1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide?
The InChIKey is XYRYTNBSRARBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-12(16)13-7-8-15-11(3)9-10(2)14-15/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide has a molecular weight of 223.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide is sourced from PubChem (CID 71782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).