5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole

C8H11F2N3 — CID 141420768

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole
SMILESCn1nccc1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2N3/c1-12-7(2-4-11-12)13-5-3-8(9,10)6-13/h2,4H,3,5-6H2,1H3
InChIKeyKFPDIUREYFQVJZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.27
Rot. Bonds1

About 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole

5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole (PubChem CID 141420768) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole
PubChem CID141420768
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole
SMILESCn1nccc1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2N3/c1-12-7(2-4-11-12)13-5-3-8(9,10)6-13/h2,4H,3,5-6H2,1H3
InChIKeyKFPDIUREYFQVJZ-UHFFFAOYSA-N
XLogP1.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
N,N'-dimethyl-N,N'-bis(1-methylpyrazol-3-yl)but-2-ene-1,4-diamine
CID 126810988
5-[3-(1H-pyrazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 131917852
1-(3,3,3-Trifluoropropyl)-1H-pyrazol-5-amine
CID 50896542
1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-amine
CID 56965641
(1Z)-N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride
CID 57698670
(1Z)-N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroethanimidoyl Chloride
CID 76596729
1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 79778362
1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 79778959
4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
CID 91311047
3-Bromo-5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole
CID 117625453

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole (CID 141420768) is 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole is Cn1nccc1N1CCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole?
The InChIKey is KFPDIUREYFQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-12-7(2-4-11-12)13-5-3-8(9,10)6-13/h2,4H,3,5-6H2,1H3.
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole?
5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole has a molecular weight of 187.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole is sourced from PubChem (CID 141420768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).