3,4,5-trimethyl-4-propylpyrazole

C9H16N2 — CID 89201257

IUPAC3,4,5-trimethyl-4-propylpyrazole
SMILESCCCC1(C)C(C)=NN=C1C
InChIInChI=1S/C9H16N2/c1-5-6-9(4)7(2)10-11-8(9)3/h5-6H2,1-4H3
InChIKeyGPULFFJVIGQUCC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.64
Rot. Bonds2

About 3,4,5-trimethyl-4-propylpyrazole

3,4,5-trimethyl-4-propylpyrazole (PubChem CID 89201257) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,4,5-trimethyl-4-propylpyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-4-propylpyrazole
PubChem CID89201257
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,4,5-trimethyl-4-propylpyrazole
SMILESCCCC1(C)C(C)=NN=C1C
InChIInChI=1S/C9H16N2/c1-5-6-9(4)7(2)10-11-8(9)3/h5-6H2,1-4H3
InChIKeyGPULFFJVIGQUCC-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Pyrazole, 3,4,4,5-tetramethyl-
CID 140471
(2,2,5,5-Tetramethylcyclopentylidene)hydrazine
CID 12526701
(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
CID 59873286
Cyclopentane, 2-diazo-1,1,3,3-tetramethyl-
CID 11159423
4,4-Diethyl-3,5-dimethyl-1-oxidopyrazol-1-ium
CID 12605662
(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
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
4-Diazo-2,2,6,6-tetramethylheptane
CID 20728936
3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole
CID 58051075
3-tert-butyl-5-methyl-4H-pyrazole
CID 59587710

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-4-propylpyrazole?
The IUPAC name of 3,4,5-trimethyl-4-propylpyrazole (CID 89201257) is 3,4,5-trimethyl-4-propylpyrazole.
What is the SMILES notation for 3,4,5-trimethyl-4-propylpyrazole?
The canonical SMILES for 3,4,5-trimethyl-4-propylpyrazole is CCCC1(C)C(C)=NN=C1C.
What is the InChIKey of 3,4,5-trimethyl-4-propylpyrazole?
The InChIKey is GPULFFJVIGQUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-9(4)7(2)10-11-8(9)3/h5-6H2,1-4H3.
What are the key properties of 3,4,5-trimethyl-4-propylpyrazole?
3,4,5-trimethyl-4-propylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-4-propylpyrazole is sourced from PubChem (CID 89201257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).