5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole

C13H14FN3 — CID 139225369

IUPAC5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole
SMILESFc1ccc(-c2cc(N3CCCC3)n[nH]2)cc1
InChIInChI=1S/C13H14FN3/c14-11-5-3-10(4-6-11)12-9-13(16-15-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)
InChIKeySLVKEVQZHJAICL-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.82
Rot. Bonds2

About 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole

5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole (PubChem CID 139225369) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole
PubChem CID139225369
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole
SMILESFc1ccc(-c2cc(N3CCCC3)n[nH]2)cc1
InChIInChI=1S/C13H14FN3/c14-11-5-3-10(4-6-11)12-9-13(16-15-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)
InChIKeySLVKEVQZHJAICL-UHFFFAOYSA-N
XLogP2.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole (CID 139225369) is 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole is Fc1ccc(-c2cc(N3CCCC3)n[nH]2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole?
The InChIKey is SLVKEVQZHJAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-5-3-10(4-6-11)12-9-13(16-15-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16).
What are the key properties of 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole?
5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole has a molecular weight of 231.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-pyrrolidin-1-yl-1H-pyrazole is sourced from PubChem (CID 139225369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).