3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine

C9H13F2N3 — CID 141313424

IUPAC3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1N1CCCC(F)(F)C1
InChIInChI=1S/C9H13F2N3/c1-13-8(3-5-12-13)14-6-2-4-9(10,11)7-14/h3,5H,2,4,6-7H2,1H3
InChIKeyWMXSPICXELKAPK-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.66
Rot. Bonds1

About 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine

3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine (PubChem CID 141313424) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine
PubChem CID141313424
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1N1CCCC(F)(F)C1
InChIInChI=1S/C9H13F2N3/c1-13-8(3-5-12-13)14-6-2-4-9(10,11)7-14/h3,5H,2,4,6-7H2,1H3
InChIKeyWMXSPICXELKAPK-UHFFFAOYSA-N
XLogP1.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
CID 1084924
7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135624510
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840
(1Z)-N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride
CID 57698670
1-(2-Methylpyrazol-3-yl)piperazine
CID 63963094
(1Z)-N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroethanimidoyl Chloride
CID 76596729
1-(4,4-difluorocyclohexyl)-1H-pyrazol-5-amine
CID 84733810
4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
CID 91311047
1-(5-Bromo-2-methylpyrazol-3-yl)-4,4-difluoropiperidine
CID 117625502
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine (CID 141313424) is 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine is Cn1nccc1N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is WMXSPICXELKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-13-8(3-5-12-13)14-6-2-4-9(10,11)7-14/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine?
3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 201.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 141313424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).