4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole

C9H14FN3 — CID 89231145

IUPAC4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
SMILESCc1c(F)c(C2CCCN2)nn1C
InChIInChI=1S/C9H14FN3/c1-6-8(10)9(12-13(6)2)7-4-3-5-11-7/h7,11H,3-5H2,1-2H3
InChIKeyWLPDEEAYUKQPOS-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.29
Rot. Bonds1

About 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole

4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole (PubChem CID 89231145) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
PubChem CID89231145
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
SMILESCc1c(F)c(C2CCCN2)nn1C
InChIInChI=1S/C9H14FN3/c1-6-8(10)9(12-13(6)2)7-4-3-5-11-7/h7,11H,3-5H2,1-2H3
InChIKeyWLPDEEAYUKQPOS-UHFFFAOYSA-N
XLogP1.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 95970426
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
5-amino-1-methyl-3-piperidin-2-ylpyrazole-4-carbonitrile
CID 83856508
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole (CID 89231145) is 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole is Cc1c(F)c(C2CCCN2)nn1C.
What is the InChIKey of 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole?
The InChIKey is WLPDEEAYUKQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6-8(10)9(12-13(6)2)7-4-3-5-11-7/h7,11H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole?
4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole has a molecular weight of 183.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 89231145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).