4-methyl-1-propyl-5-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 20686656

IUPAC4-methyl-1-propyl-5-(trifluoromethyl)pyrazole
SMILESCCCn1ncc(C)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-13-7(8(9,10)11)6(2)5-12-13/h5H,3-4H2,1-2H3
InChIKeyAQWJVWRLDRVVNZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole

4-methyl-1-propyl-5-(trifluoromethyl)pyrazole (PubChem CID 20686656) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-propyl-5-(trifluoromethyl)pyrazole
PubChem CID20686656
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4-methyl-1-propyl-5-(trifluoromethyl)pyrazole
SMILESCCCn1ncc(C)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-13-7(8(9,10)11)6(2)5-12-13/h5H,3-4H2,1-2H3
InChIKeyAQWJVWRLDRVVNZ-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 6886586
(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
4-ethynyl-1,3-dimethyl-1H-pyrazole
CID 12298388
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9568655
4-Ethynyl-1,5-dimethyl-1H-pyrazole
CID 12299299
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
1-Ethyl-3-methyl-1H-pyrazole-4-carbaldehyde oxime
CID 6885154
1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde oxime
CID 6886279
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole (CID 20686656) is 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole is CCCn1ncc(C)c1C(F)(F)F.
What is the InChIKey of 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole?
The InChIKey is AQWJVWRLDRVVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-13-7(8(9,10)11)6(2)5-12-13/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole?
4-methyl-1-propyl-5-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 20686656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).