1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole

C14H24N4 — CID 177023354

IUPAC1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn(C)n1.Cc1[nH]ncc1C(C)C
InChIInChI=1S/2C7H12N2/c1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyLUXZNNZYXJSKBE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.39
Rot. Bonds2

About 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole

1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole (PubChem CID 177023354) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole
PubChem CID177023354
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn(C)n1.Cc1[nH]ncc1C(C)C
InChIInChI=1S/2C7H12N2/c1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyLUXZNNZYXJSKBE-UHFFFAOYSA-N
XLogP3.39
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole (CID 177023354) is 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole is CC(C)c1ccn(C)n1.Cc1[nH]ncc1C(C)C.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole?
The InChIKey is LUXZNNZYXJSKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2/c1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-8-9-6(7)3/h4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole?
1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole has a molecular weight of 248.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 177023354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).