2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide

C14H25N3O — CID 82698784

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)NC(C)C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-12-8-13(7-2)17(16-12)9-14(18)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,18)
InChIKeyIZSGHPFSPGMODG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.17
Rot. Bonds6

About 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 82698784) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID82698784
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)NC(C)C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-12-8-13(7-2)17(16-12)9-14(18)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,18)
InChIKeyIZSGHPFSPGMODG-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464
2-(3,5-diethylpyrazol-1-yl)-N-prop-2-ynylacetamide
CID 82694483
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82695813
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
2-[3,5-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrazol-4-yl]acetic acid
CID 61489186
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 62950155
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 82698784) is 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide is CCc1cc(CC)n(CC(=O)NC(C)C(C)C)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is IZSGHPFSPGMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-12-8-13(7-2)17(16-12)9-14(18)15-11(5)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H,15,18).
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 82698784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).