5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole

C11H17F2N3 — CID 126791963

IUPAC5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(CN2CCC[C@@H]2C(F)F)n(C)n1
InChIInChI=1S/C11H17F2N3/c1-8-6-9(15(2)14-8)7-16-5-3-4-10(16)11(12)13/h6,10-11H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyATXFIPQTEAYAHY-SNVBAGLBSA-N
MW229.27 g/mol
LogP1.96
Rot. Bonds3

About 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole

5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 126791963) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
PubChem CID126791963
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(CN2CCC[C@@H]2C(F)F)n(C)n1
InChIInChI=1S/C11H17F2N3/c1-8-6-9(15(2)14-8)7-16-5-3-4-10(16)11(12)13/h6,10-11H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyATXFIPQTEAYAHY-SNVBAGLBSA-N
XLogP1.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740
N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-1-ethanamine
CID 361753
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole (CID 126791963) is 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole is Cc1cc(CN2CCC[C@@H]2C(F)F)n(C)n1.
What is the InChIKey of 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole?
The InChIKey is ATXFIPQTEAYAHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8-6-9(15(2)14-8)7-16-5-3-4-10(16)11(12)13/h6,10-11H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole?
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 229.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 126791963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).