4-(4-methoxybutan-2-yl)-1H-pyrazole

C8H14N2O — CID 57193932

IUPAC4-(4-methoxybutan-2-yl)-1H-pyrazole
SMILESCOCCC(C)c1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-7(3-4-11-2)8-5-9-10-6-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyFNGGOWCUESQWSB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds4

About 4-(4-methoxybutan-2-yl)-1H-pyrazole

4-(4-methoxybutan-2-yl)-1H-pyrazole (PubChem CID 57193932) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(4-methoxybutan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methoxybutan-2-yl)-1H-pyrazole
PubChem CID57193932
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-(4-methoxybutan-2-yl)-1H-pyrazole
SMILESCOCCC(C)c1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-7(3-4-11-2)8-5-9-10-6-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyFNGGOWCUESQWSB-UHFFFAOYSA-N
XLogP1.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutan-2-yl)-1H-pyrazole?
The IUPAC name of 4-(4-methoxybutan-2-yl)-1H-pyrazole (CID 57193932) is 4-(4-methoxybutan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methoxybutan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(4-methoxybutan-2-yl)-1H-pyrazole is COCCC(C)c1cn[nH]c1.
What is the InChIKey of 4-(4-methoxybutan-2-yl)-1H-pyrazole?
The InChIKey is FNGGOWCUESQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(3-4-11-2)8-5-9-10-6-8/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-(4-methoxybutan-2-yl)-1H-pyrazole?
4-(4-methoxybutan-2-yl)-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutan-2-yl)-1H-pyrazole is sourced from PubChem (CID 57193932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).