1,4-dimethylpyrazole

C10H16N4 — CID 167636457

IUPAC1,4-dimethylpyrazole
SMILESCc1cnn(C)c1.Cc1cnn(C)c1
InChIInChI=1S/2C5H8N2/c2*1-5-3-6-7(2)4-5/h2*3-4H,1-2H3
InChIKeyONUIRUIXVSBWPQ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.46
Rot. Bonds

About 1,4-dimethylpyrazole

1,4-dimethylpyrazole (PubChem CID 167636457) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1,4-dimethylpyrazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole
PubChem CID167636457
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1,4-dimethylpyrazole
SMILESCc1cnn(C)c1.Cc1cnn(C)c1
InChIInChI=1S/2C5H8N2/c2*1-5-3-6-7(2)4-5/h2*3-4H,1-2H3
InChIKeyONUIRUIXVSBWPQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
CID 162077924
1,3-dimethylpyrazole;1,4-dimethylpyrazole
CID 160655475
1,4-dimethylpyrazole;bis(2,5-dimethylpyridine);1,5-dimethylpyridin-2-one;1,4-xylene
CID 157203918
ethane;4-fluoro-1-methylpyrazole
CID 177338163
trimethyl-(1-methylpyrazol-4-yl)silane
CID 13334047
tris(4-methylpyrazol-1-yl)borane
CID 76900239
1-(3-iodo-1-bicyclo[1.1.1]pentanyl)-4-methylpyrazole
CID 155970439
(NZ)-N-[(1-methylpyrazol-4-yl)methylidene]hydroxylamine
CID 6161558
1-cyclobutyl-4-methylpyrazole
CID 59225391
ethane;4-ethyl-1-methylpyrazole
CID 143829284
(4-methylpyrazol-1-yl)methanol
CID 7172181
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole?
The IUPAC name of 1,4-dimethylpyrazole (CID 167636457) is 1,4-dimethylpyrazole.
What is the SMILES notation for 1,4-dimethylpyrazole?
The canonical SMILES for 1,4-dimethylpyrazole is Cc1cnn(C)c1.Cc1cnn(C)c1.
What is the InChIKey of 1,4-dimethylpyrazole?
The InChIKey is ONUIRUIXVSBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2/c2*1-5-3-6-7(2)4-5/h2*3-4H,1-2H3.
What are the key properties of 1,4-dimethylpyrazole?
1,4-dimethylpyrazole has a molecular weight of 192.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole is sourced from PubChem (CID 167636457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).