1-butyl-3,5-dimethylpyrazole

C9H16N2 — CID 573083

IUPAC1-butyl-3,5-dimethylpyrazole
SMILESCCCCn1nc(C)cc1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
InChIKeyCHDNZIRREFRIJW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds3

About 1-butyl-3,5-dimethylpyrazole

1-butyl-3,5-dimethylpyrazole (PubChem CID 573083) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-butyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-butyl-3,5-dimethylpyrazole
PubChem CID573083
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-butyl-3,5-dimethylpyrazole
SMILESCCCCn1nc(C)cc1C
InChIInChI=1S/C9H16N2/c1-4-5-6-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
InChIKeyCHDNZIRREFRIJW-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethylpyrazole?
The IUPAC name of 1-butyl-3,5-dimethylpyrazole (CID 573083) is 1-butyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-butyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-butyl-3,5-dimethylpyrazole is CCCCn1nc(C)cc1C.
What is the InChIKey of 1-butyl-3,5-dimethylpyrazole?
The InChIKey is CHDNZIRREFRIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-butyl-3,5-dimethylpyrazole?
1-butyl-3,5-dimethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethylpyrazole is sourced from PubChem (CID 573083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).