1,3,4-trimethyl-5-(2-methylpropyl)pyrazole

C10H18N2 — CID 163655870

IUPAC1,3,4-trimethyl-5-(2-methylpropyl)pyrazole
SMILESCc1nn(C)c(CC(C)C)c1C
InChIInChI=1S/C10H18N2/c1-7(2)6-10-8(3)9(4)11-12(10)5/h7H,6H2,1-5H3
InChIKeyIQDQRTCJKUCHHR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.24
Rot. Bonds2

About 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole

1,3,4-trimethyl-5-(2-methylpropyl)pyrazole (PubChem CID 163655870) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-(2-methylpropyl)pyrazole
PubChem CID163655870
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3,4-trimethyl-5-(2-methylpropyl)pyrazole
SMILESCc1nn(C)c(CC(C)C)c1C
InChIInChI=1S/C10H18N2/c1-7(2)6-10-8(3)9(4)11-12(10)5/h7H,6H2,1-5H3
InChIKeyIQDQRTCJKUCHHR-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole?
The IUPAC name of 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole (CID 163655870) is 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole?
The canonical SMILES for 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole is Cc1nn(C)c(CC(C)C)c1C.
What is the InChIKey of 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole?
The InChIKey is IQDQRTCJKUCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)6-10-8(3)9(4)11-12(10)5/h7H,6H2,1-5H3.
What are the key properties of 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole?
1,3,4-trimethyl-5-(2-methylpropyl)pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-(2-methylpropyl)pyrazole is sourced from PubChem (CID 163655870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).