5-fluoro-1-methyl-4-propylpyrazole

C7H11FN2 — CID 177017540

IUPAC5-fluoro-1-methyl-4-propylpyrazole
SMILESCCCc1cnn(C)c1F
InChIInChI=1S/C7H11FN2/c1-3-4-6-5-9-10(2)7(6)8/h5H,3-4H2,1-2H3
InChIKeyFHUSBAGBAMLIFT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.51
Rot. Bonds2

About 5-fluoro-1-methyl-4-propylpyrazole

5-fluoro-1-methyl-4-propylpyrazole (PubChem CID 177017540) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-propylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-propylpyrazole
PubChem CID177017540
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-fluoro-1-methyl-4-propylpyrazole
SMILESCCCc1cnn(C)c1F
InChIInChI=1S/C7H11FN2/c1-3-4-6-5-9-10(2)7(6)8/h5H,3-4H2,1-2H3
InChIKeyFHUSBAGBAMLIFT-UHFFFAOYSA-N
XLogP1.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 164664743
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 171156649
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 171156647
5-ethyl-4-fluoro-1-methylpyrazole
CID 123448129
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
(1-butyl-5-fluoropyrazol-4-yl)methanol
CID 171315893
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
4-(bromomethyl)-1,5-dipropylpyrazole
CID 66437945
4-fluoro-5-propylpyrimidine
CID 168992150
2-(5-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672842

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-propylpyrazole?
The IUPAC name of 5-fluoro-1-methyl-4-propylpyrazole (CID 177017540) is 5-fluoro-1-methyl-4-propylpyrazole.
What is the SMILES notation for 5-fluoro-1-methyl-4-propylpyrazole?
The canonical SMILES for 5-fluoro-1-methyl-4-propylpyrazole is CCCc1cnn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-4-propylpyrazole?
The InChIKey is FHUSBAGBAMLIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-4-6-5-9-10(2)7(6)8/h5H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-4-propylpyrazole?
5-fluoro-1-methyl-4-propylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-propylpyrazole is sourced from PubChem (CID 177017540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).