4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole

C13H14FN3 — CID 95730730

IUPAC4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
SMILESFc1ccccc1-c1cn[nH]c1[C@H]1CCCN1
InChIInChI=1S/C13H14FN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17)/t12-/m1/s1
InChIKeyPIRYAWGPSCEGHQ-GFCCVEGCSA-N
MW231.27 g/mol
LogP2.64
Rot. Bonds2

About 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole

4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 95730730) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
PubChem CID95730730
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
SMILESFc1ccccc1-c1cn[nH]c1[C@H]1CCCN1
InChIInChI=1S/C13H14FN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17)/t12-/m1/s1
InChIKeyPIRYAWGPSCEGHQ-GFCCVEGCSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872
2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol
CID 125018471
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
CID 115018789
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
2-(azepan-1-yl)-1-[(2R)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 95840241
4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84608392
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-chloro-4-pyrrolidin-2-yl-1H-pyrazole
CID 84766127
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole (CID 95730730) is 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole is Fc1ccccc1-c1cn[nH]c1[C@H]1CCCN1.
What is the InChIKey of 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is PIRYAWGPSCEGHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-5-2-1-4-9(11)10-8-16-17-13(10)12-6-3-7-15-12/h1-2,4-5,8,12,15H,3,6-7H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 231.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 95730730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).