1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole

C13H14FN3 — CID 105489365

IUPAC1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
SMILESFc1ccc(-n2cc(C3CCNC3)cn2)cc1
InChIInChI=1S/C13H14FN3/c14-12-1-3-13(4-2-12)17-9-11(8-16-17)10-5-6-15-7-10/h1-4,8-10,15H,5-7H2
InChIKeyBKYUGDIIINRRHY-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole

1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole (PubChem CID 105489365) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
PubChem CID105489365
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
SMILESFc1ccc(-n2cc(C3CCNC3)cn2)cc1
InChIInChI=1S/C13H14FN3/c14-12-1-3-13(4-2-12)17-9-11(8-16-17)10-5-6-15-7-10/h1-4,8-10,15H,5-7H2
InChIKeyBKYUGDIIINRRHY-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
3-[1-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 71995749
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
CID 71842302
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
4-cyclopropyl-1-(4-propylphenyl)pyrazole
CID 177016699
5-pyrrolidin-3-ylpyrimidine
CID 66996535
3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
CID 117355761

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole (CID 105489365) is 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole is Fc1ccc(-n2cc(C3CCNC3)cn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole?
The InChIKey is BKYUGDIIINRRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-12-1-3-13(4-2-12)17-9-11(8-16-17)10-5-6-15-7-10/h1-4,8-10,15H,5-7H2.
What are the key properties of 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole?
1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole has a molecular weight of 231.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 105489365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).