1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole

C18H17FN2O — CID 70903750

IUPAC1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole
SMILESFCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C18H17FN2O/c19-9-10-21-13-17(12-20-21)16-7-4-8-18(11-16)22-14-15-5-2-1-3-6-15/h1-8,11-13H,9-10,14H2
InChIKeyAOTLQAXHOQQWLC-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.10
Rot. Bonds6

About 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole

1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole (PubChem CID 70903750) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole
PubChem CID70903750
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole
SMILESFCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C18H17FN2O/c19-9-10-21-13-17(12-20-21)16-7-4-8-18(11-16)22-14-15-5-2-1-3-6-15/h1-8,11-13H,9-10,14H2
InChIKeyAOTLQAXHOQQWLC-UHFFFAOYSA-N
XLogP4.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole (CID 70903750) is 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole is FCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole?
The InChIKey is AOTLQAXHOQQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-9-10-21-13-17(12-20-21)16-7-4-8-18(11-16)22-14-15-5-2-1-3-6-15/h1-8,11-13H,9-10,14H2.
What are the key properties of 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole?
1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole has a molecular weight of 296.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(3-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 70903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).