3,5-diethylpyrazole-1-carboxamide

C8H13N3O — CID 91622965

IUPAC3,5-diethylpyrazole-1-carboxamide
SMILESCCc1cc(CC)n(C(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-3-6-5-7(4-2)11(10-6)8(9)12/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyIJMCQHTUJOGOHH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.93
Rot. Bonds2

About 3,5-diethylpyrazole-1-carboxamide

3,5-diethylpyrazole-1-carboxamide (PubChem CID 91622965) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,5-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3,5-diethylpyrazole-1-carboxamide
PubChem CID91622965
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3,5-diethylpyrazole-1-carboxamide
SMILESCCc1cc(CC)n(C(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-3-6-5-7(4-2)11(10-6)8(9)12/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyIJMCQHTUJOGOHH-UHFFFAOYSA-N
XLogP0.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5-triethylpyrazole-1-carbothioamide
CID 100955641
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 82699978
barium(2+);bis(tris(3,5-diethylpyrazol-1-yl)boranuide)
CID 139141227
5-ethylimidazole-1-carboxamide
CID 173433611
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
CID 82693003
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylpyrazole-1-carboxamide?
The IUPAC name of 3,5-diethylpyrazole-1-carboxamide (CID 91622965) is 3,5-diethylpyrazole-1-carboxamide.
What is the SMILES notation for 3,5-diethylpyrazole-1-carboxamide?
The canonical SMILES for 3,5-diethylpyrazole-1-carboxamide is CCc1cc(CC)n(C(N)=O)n1.
What is the InChIKey of 3,5-diethylpyrazole-1-carboxamide?
The InChIKey is IJMCQHTUJOGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-6-5-7(4-2)11(10-6)8(9)12/h5H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of 3,5-diethylpyrazole-1-carboxamide?
3,5-diethylpyrazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 91622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).