ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole

C11H22N2 — CID 169218141

IUPACethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
SMILESCC.CCn1nc(C(C)C)cc1C
InChIInChI=1S/C9H16N2.C2H6/c1-5-11-8(4)6-9(10-11)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyKSZILXQTZKHBNZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.36
Rot. Bonds2

About ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole

ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole (PubChem CID 169218141) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
PubChem CID169218141
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
SMILESCC.CCn1nc(C(C)C)cc1C
InChIInChI=1S/C9H16N2.C2H6/c1-5-11-8(4)6-9(10-11)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyKSZILXQTZKHBNZ-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 178050223
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
1-ethyl-3,5-dimethylpyrazole
CID 565993
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile
CID 176666058
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
1-ethyl-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 62409302
5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 144569738
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
CID 112727118
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
CID 105463537

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole?
The IUPAC name of ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole (CID 169218141) is ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole.
What is the SMILES notation for ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole?
The canonical SMILES for ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole is CC.CCn1nc(C(C)C)cc1C.
What is the InChIKey of ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole?
The InChIKey is KSZILXQTZKHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-11-8(4)6-9(10-11)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole?
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 169218141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).