1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole

C12H22N2 — CID 153444612

IUPAC1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn([C@H](C)C(C)C)c1
InChIInChI=1S/C12H22N2/c1-9(2)6-12-7-13-14(8-12)11(5)10(3)4/h7-11H,6H2,1-5H3/t11-/m1/s1
InChIKeyLNUIVDMEKSVLQO-LLVKDONJSA-N
MW194.32 g/mol
LogP3.30
Rot. Bonds4

About 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole

1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole (PubChem CID 153444612) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
PubChem CID153444612
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn([C@H](C)C(C)C)c1
InChIInChI=1S/C12H22N2/c1-9(2)6-12-7-13-14(8-12)11(5)10(3)4/h7-11H,6H2,1-5H3/t11-/m1/s1
InChIKeyLNUIVDMEKSVLQO-LLVKDONJSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole (CID 153444612) is 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole is CC(C)Cc1cnn([C@H](C)C(C)C)c1.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole?
The InChIKey is LNUIVDMEKSVLQO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)6-12-7-13-14(8-12)11(5)10(3)4/h7-11H,6H2,1-5H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole?
1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 153444612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).