4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide

C12H21N3O — CID 82699974

IUPAC4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
SMILESCCc1cc(CC)n(CCCC(=O)NC)n1
InChIInChI=1S/C12H21N3O/c1-4-10-9-11(5-2)15(14-10)8-6-7-12(16)13-3/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyHCHYQPLNTFMIQK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.53
Rot. Bonds6

About 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide

4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide (PubChem CID 82699974) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
PubChem CID82699974
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
SMILESCCc1cc(CC)n(CCCC(=O)NC)n1
InChIInChI=1S/C12H21N3O/c1-4-10-9-11(5-2)15(14-10)8-6-7-12(16)13-3/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyHCHYQPLNTFMIQK-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 82695681
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
CID 82695391
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
3,5-diethyl-1-propylpyrazole
CID 82699697
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 82698784
methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 82694955
(E)-4-(3,5-diethylpyrazol-1-yl)but-2-enoic acid
CID 82693468
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide (CID 82699974) is 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide is CCc1cc(CC)n(CCCC(=O)NC)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide?
The InChIKey is HCHYQPLNTFMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10-9-11(5-2)15(14-10)8-6-7-12(16)13-3/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide?
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 82699974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).