3-tert-butyl-5-ethyl-4H-pyrazole

C9H16N2 — CID 131746948

IUPAC3-tert-butyl-5-ethyl-4H-pyrazole
SMILESCCC1=NN=C(C(C)(C)C)C1
InChIInChI=1S/C9H16N2/c1-5-7-6-8(11-10-7)9(2,3)4/h5-6H2,1-4H3
InChIKeyGODBJIATCSZINP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.64
Rot. Bonds1

About 3-tert-butyl-5-ethyl-4H-pyrazole

3-tert-butyl-5-ethyl-4H-pyrazole (PubChem CID 131746948) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-4H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-4H-pyrazole
PubChem CID131746948
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-tert-butyl-5-ethyl-4H-pyrazole
SMILESCCC1=NN=C(C(C)(C)C)C1
InChIInChI=1S/C9H16N2/c1-5-7-6-8(11-10-7)9(2,3)4/h5-6H2,1-4H3
InChIKeyGODBJIATCSZINP-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
CID 59873286
(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine
CID 134883173
(E)-N-[(Z)-4,4-dimethylpentan-2-ylideneamino]-4,4-dimethylpentan-2-imine
CID 134897223
Diisobutyl ketazine
CID 177896124
2,3-Diazaspiro[4.5]deca-1,3-diene, 1,4-dimethyl-
CID 548920
1,4-Dimethyl-2,3-diazaspiro[4.4]nona-1,3-diene
CID 13154980
2,2-Dimethylheptan-3-imine
CID 15179554
4-Diazo-2,2,6,6-tetramethylheptane
CID 20728936
3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole
CID 58051075
3-ethyl-5-propan-2-yl-4H-pyrazole;zirconium
CID 58587275
3-ethyl-5-propan-2-yl-4H-pyrazole
CID 58587276
3,5-di(propan-2-yl)-4H-pyrazole
CID 58961217

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-4H-pyrazole?
The IUPAC name of 3-tert-butyl-5-ethyl-4H-pyrazole (CID 131746948) is 3-tert-butyl-5-ethyl-4H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-ethyl-4H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-ethyl-4H-pyrazole is CCC1=NN=C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-ethyl-4H-pyrazole?
The InChIKey is GODBJIATCSZINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-6-8(11-10-7)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-ethyl-4H-pyrazole?
3-tert-butyl-5-ethyl-4H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-4H-pyrazole is sourced from PubChem (CID 131746948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).