4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole

C12H20N2 — CID 166809103

IUPAC4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole
SMILESCCC(C)C1C(C)C1c1cnn(C)c1
InChIInChI=1S/C12H20N2/c1-5-8(2)11-9(3)12(11)10-6-13-14(4)7-10/h6-9,11-12H,5H2,1-4H3
InChIKeyPQLZOTYBKBQTAN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.82
Rot. Bonds3

About 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole

4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole (PubChem CID 166809103) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole
PubChem CID166809103
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole
SMILESCCC(C)C1C(C)C1c1cnn(C)c1
InChIInChI=1S/C12H20N2/c1-5-8(2)11-9(3)12(11)10-6-13-14(4)7-10/h6-9,11-12H,5H2,1-4H3
InChIKeyPQLZOTYBKBQTAN-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole?
The IUPAC name of 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole (CID 166809103) is 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole is CCC(C)C1C(C)C1c1cnn(C)c1.
What is the InChIKey of 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole?
The InChIKey is PQLZOTYBKBQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-8(2)11-9(3)12(11)10-6-13-14(4)7-10/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole?
4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole is sourced from PubChem (CID 166809103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).