2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid

C18H14FN3O2 — CID 22953667

IUPAC2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H14FN3O2/c19-12-3-1-11(2-4-12)16-15(10-5-7-20-8-6-10)17(22-21-16)13-9-14(13)18(23)24/h1-8,13-14H,9H2,(H,21,22)(H,23,24)
InChIKeyZGADVUKZZKROTH-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.47
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid

2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 22953667) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID22953667
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H14FN3O2/c19-12-3-1-11(2-4-12)16-15(10-5-7-20-8-6-10)17(22-21-16)13-9-14(13)18(23)24/h1-8,13-14H,9H2,(H,21,22)(H,23,24)
InChIKeyZGADVUKZZKROTH-UHFFFAOYSA-N
XLogP3.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid (CID 22953667) is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is ZGADVUKZZKROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-12-3-1-11(2-4-12)16-15(10-5-7-20-8-6-10)17(22-21-16)13-9-14(13)18(23)24/h1-8,13-14H,9H2,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 323.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 22953667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).