[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol

C18H18F2N4O3 — CID 164718579

IUPAC[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C18H18F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,17-18,25H,2,5-6H2,1H3
InChIKeyAKSKSBZRWJFJOT-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.49
Rot. Bonds5

About [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol

[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol (PubChem CID 164718579) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
PubChem CID164718579
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C18H18F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,17-18,25H,2,5-6H2,1H3
InChIKeyAKSKSBZRWJFJOT-UHFFFAOYSA-N
XLogP2.49
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol (CID 164718579) is [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1.
What is the InChIKey of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is AKSKSBZRWJFJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,17-18,25H,2,5-6H2,1H3.
What are the key properties of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol?
[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 376.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 164718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).