3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

C14H14FN3O2 — CID 117439962

IUPAC3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)cccc2N2CCCC2)n[nH]1
InChIInChI=1S/C14H14FN3O2/c15-9-4-3-5-12(18-6-1-2-7-18)13(9)10-8-11(14(19)20)17-16-10/h3-5,8H,1-2,6-7H2,(H,16,17)(H,19,20)
InChIKeyHVIXOJCXXKNTFC-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117439962) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117439962
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)cccc2N2CCCC2)n[nH]1
InChIInChI=1S/C14H14FN3O2/c15-9-4-3-5-12(18-6-1-2-7-18)13(9)10-8-11(14(19)20)17-16-10/h3-5,8H,1-2,6-7H2,(H,16,17)(H,19,20)
InChIKeyHVIXOJCXXKNTFC-UHFFFAOYSA-N
XLogP2.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115111364
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
3-[2-(dimethylamino)-3,6-difluorophenyl]-1H-pyrazole-5-carboxylic acid
CID 115111350
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6626200
3-(3,6-dichloro-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117439401
3-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117443210

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117439962) is 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2c(F)cccc2N2CCCC2)n[nH]1.
What is the InChIKey of 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HVIXOJCXXKNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-9-4-3-5-12(18-6-1-2-7-18)13(9)10-8-11(14(19)20)17-16-10/h3-5,8H,1-2,6-7H2,(H,16,17)(H,19,20).
What are the key properties of 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117439962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).