5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole

C8H12FN3 — CID 141313418

IUPAC5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole
SMILESCn1nccc1N1CCC(F)C1
InChIInChI=1S/C8H12FN3/c1-11-8(2-4-10-11)12-5-3-7(9)6-12/h2,4,7H,3,5-6H2,1H3
InChIKeyXNTLSNGDWLGELZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.97
Rot. Bonds1

About 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole

5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole (PubChem CID 141313418) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole
PubChem CID141313418
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole
SMILESCn1nccc1N1CCC(F)C1
InChIInChI=1S/C8H12FN3/c1-11-8(2-4-10-11)12-5-3-7(9)6-12/h2,4,7H,3,5-6H2,1H3
InChIKeyXNTLSNGDWLGELZ-UHFFFAOYSA-N
XLogP0.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 642216
1-(2-fluoroethyl)-1H-pyrazol-5-amine
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CID 54594181
4-Ethylpyrazolo[1,5-a]pyrimidine-7-thione
CID 12726142
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
3H-imidazo[1,2-b]pyrazole
CID 67342199
N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine
CID 126810988
4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
CID 91311047
4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134571874
4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134571902
4-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134577423
3,3-Difluoro-1-(2-methylpyrazol-3-yl)piperidine
CID 141313424

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole?
The IUPAC name of 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole (CID 141313418) is 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole?
The canonical SMILES for 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole is Cn1nccc1N1CCC(F)C1.
What is the InChIKey of 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole?
The InChIKey is XNTLSNGDWLGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-11-8(2-4-10-11)12-5-3-7(9)6-12/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole?
5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole has a molecular weight of 169.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazole is sourced from PubChem (CID 141313418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).