1-butan-2-yl-4-ethylpyrazole

C9H16N2 — CID 153355505

IUPAC1-butan-2-yl-4-ethylpyrazole
SMILESCCc1cnn(C(C)CC)c1
InChIInChI=1S/C9H16N2/c1-4-8(3)11-7-9(5-2)6-10-11/h6-8H,4-5H2,1-3H3
InChIKeyGMTJBYJXGDIEPJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds3

About 1-butan-2-yl-4-ethylpyrazole

1-butan-2-yl-4-ethylpyrazole (PubChem CID 153355505) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butan-2-yl-4-ethylpyrazole.

Molecular Properties

Compound Name1-butan-2-yl-4-ethylpyrazole
PubChem CID153355505
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butan-2-yl-4-ethylpyrazole
SMILESCCc1cnn(C(C)CC)c1
InChIInChI=1S/C9H16N2/c1-4-8(3)11-7-9(5-2)6-10-11/h6-8H,4-5H2,1-3H3
InChIKeyGMTJBYJXGDIEPJ-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide
CID 112712320
1-[(2S)-butan-2-yl]pyrazole-4-carbaldehyde
CID 42575026
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
1-butan-2-yl-4-(3-iodophenyl)pyrazole
CID 79787415
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 159150030
1-butan-2-yl-4-ethyltriazole
CID 138568192
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-ethylpyrazole?
The IUPAC name of 1-butan-2-yl-4-ethylpyrazole (CID 153355505) is 1-butan-2-yl-4-ethylpyrazole.
What is the SMILES notation for 1-butan-2-yl-4-ethylpyrazole?
The canonical SMILES for 1-butan-2-yl-4-ethylpyrazole is CCc1cnn(C(C)CC)c1.
What is the InChIKey of 1-butan-2-yl-4-ethylpyrazole?
The InChIKey is GMTJBYJXGDIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(3)11-7-9(5-2)6-10-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-ethylpyrazole?
1-butan-2-yl-4-ethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-ethylpyrazole is sourced from PubChem (CID 153355505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).