1-(2,2-dimethylpropyl)-5-methylpyrazole

C9H16N2 — CID 11858722

IUPAC1-(2,2-dimethylpropyl)-5-methylpyrazole
SMILESCc1ccnn1CC(C)(C)C
InChIInChI=1S/C9H16N2/c1-8-5-6-10-11(8)7-9(2,3)4/h5-6H,7H2,1-4H3
InChIKeyCLIFXZPNNNFCRQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-5-methylpyrazole

1-(2,2-dimethylpropyl)-5-methylpyrazole (PubChem CID 11858722) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-methylpyrazole
PubChem CID11858722
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(2,2-dimethylpropyl)-5-methylpyrazole
SMILESCc1ccnn1CC(C)(C)C
InChIInChI=1S/C9H16N2/c1-8-5-6-10-11(8)7-9(2,3)4/h5-6H,7H2,1-4H3
InChIKeyCLIFXZPNNNFCRQ-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
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-(2,2-dimethylpropyl)-5-methylpyrazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-methylpyrazole (CID 11858722) is 1-(2,2-dimethylpropyl)-5-methylpyrazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-methylpyrazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-methylpyrazole is Cc1ccnn1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-methylpyrazole?
The InChIKey is CLIFXZPNNNFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-6-10-11(8)7-9(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-methylpyrazole?
1-(2,2-dimethylpropyl)-5-methylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-methylpyrazole is sourced from PubChem (CID 11858722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).