ethane;4-ethyl-1,3,5-trimethylpyrazole

C10H20N2 — CID 143917345

IUPACethane;4-ethyl-1,3,5-trimethylpyrazole
SMILESCC.CCc1c(C)nn(C)c1C
InChIInChI=1S/C8H14N2.C2H6/c1-5-8-6(2)9-10(4)7(8)3;1-2/h5H2,1-4H3;1-2H3
InChIKeyHVXLIOPRYUHATO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.63
Rot. Bonds1

About ethane;4-ethyl-1,3,5-trimethylpyrazole

ethane;4-ethyl-1,3,5-trimethylpyrazole (PubChem CID 143917345) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;4-ethyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-1,3,5-trimethylpyrazole
PubChem CID143917345
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;4-ethyl-1,3,5-trimethylpyrazole
SMILESCC.CCc1c(C)nn(C)c1C
InChIInChI=1S/C8H14N2.C2H6/c1-5-8-6(2)9-10(4)7(8)3;1-2/h5H2,1-4H3;1-2H3
InChIKeyHVXLIOPRYUHATO-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 103102216
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 28610096
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1,3,5-trimethylpyrazole?
The IUPAC name of ethane;4-ethyl-1,3,5-trimethylpyrazole (CID 143917345) is ethane;4-ethyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for ethane;4-ethyl-1,3,5-trimethylpyrazole?
The canonical SMILES for ethane;4-ethyl-1,3,5-trimethylpyrazole is CC.CCc1c(C)nn(C)c1C.
What is the InChIKey of ethane;4-ethyl-1,3,5-trimethylpyrazole?
The InChIKey is HVXLIOPRYUHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-5-8-6(2)9-10(4)7(8)3;1-2/h5H2,1-4H3;1-2H3.
What are the key properties of ethane;4-ethyl-1,3,5-trimethylpyrazole?
ethane;4-ethyl-1,3,5-trimethylpyrazole has a molecular weight of 168.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 143917345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).