ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole

C11H22N2 — CID 163393222

IUPACethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
SMILESCC.CCc1cnn(C)c1C(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-5-8-6-10-11(4)9(8)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyNPXUVGFNBRMFTN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.13
Rot. Bonds2

About ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole

ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole (PubChem CID 163393222) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
PubChem CID163393222
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
SMILESCC.CCc1cnn(C)c1C(C)C
InChIInChI=1S/C9H16N2.C2H6/c1-5-8-6-10-11(4)9(8)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyNPXUVGFNBRMFTN-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-methylpyrazol-5-amine
CID 22456644
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
CID 170979420
5-butan-2-yl-1-methylpyrazole-4-carbonitrile
CID 90875351
2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid
CID 95732681
N-(4-ethyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406892
[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
CID 123958494
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
[(4-chloro-1-methylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338782

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole?
The IUPAC name of ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole (CID 163393222) is ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole is CC.CCc1cnn(C)c1C(C)C.
What is the InChIKey of ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole?
The InChIKey is NPXUVGFNBRMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-8-6-10-11(4)9(8)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole?
ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 163393222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).