4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole

C10H15F2N3 — CID 84734901

IUPAC4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCC(F)(F)c1cnn(CC2CCNC2)c1
InChIInChI=1S/C10H15F2N3/c1-10(11,12)9-5-14-15(7-9)6-8-2-3-13-4-8/h5,7-8,13H,2-4,6H2,1H3
InChIKeyMLFNLWQFWOZDMV-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.60
Rot. Bonds3

About 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole

4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 84734901) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID84734901
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCC(F)(F)c1cnn(CC2CCNC2)c1
InChIInChI=1S/C10H15F2N3/c1-10(11,12)9-5-14-15(7-9)6-8-2-3-13-4-8/h5,7-8,13H,2-4,6H2,1H3
InChIKeyMLFNLWQFWOZDMV-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole (CID 84734901) is 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole is CC(F)(F)c1cnn(CC2CCNC2)c1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is MLFNLWQFWOZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-10(11,12)9-5-14-15(7-9)6-8-2-3-13-4-8/h5,7-8,13H,2-4,6H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole?
4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 215.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 84734901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).