4-tert-butyl-3,5-dimethyl-1H-pyrazole

C9H16N2 — CID 2753087

IUPAC4-tert-butyl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(9(3,4)5)7(2)11-10-6/h1-5H3,(H,10,11)
InChIKeyFGLKFIODTRHMCM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds

About 4-tert-butyl-3,5-dimethyl-1H-pyrazole

4-tert-butyl-3,5-dimethyl-1H-pyrazole (PubChem CID 2753087) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-1H-pyrazole
PubChem CID2753087
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-tert-butyl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(9(3,4)5)7(2)11-10-6/h1-5H3,(H,10,11)
InChIKeyFGLKFIODTRHMCM-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-1H-pyrazole (CID 2753087) is 4-tert-butyl-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1H-pyrazole?
The InChIKey is FGLKFIODTRHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(9(3,4)5)7(2)11-10-6/h1-5H3,(H,10,11).
What are the key properties of 4-tert-butyl-3,5-dimethyl-1H-pyrazole?
4-tert-butyl-3,5-dimethyl-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2753087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).