(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone

C17H16F2N4O2 — CID 164719011

IUPAC(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone
SMILESCCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C(C)O)cn1
InChIInChI=1S/C17H16F2N4O2/c1-3-22-9-11(8-20-22)17(25)15-7-16(19)21-23(15)14-5-4-12(18)6-13(14)10(2)24/h4-10,24H,3H2,1-2H3
InChIKeyZHGBTJFQRKVNRA-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.65
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone

(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone (PubChem CID 164719011) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone
PubChem CID164719011
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone
SMILESCCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C(C)O)cn1
InChIInChI=1S/C17H16F2N4O2/c1-3-22-9-11(8-20-22)17(25)15-7-16(19)21-23(15)14-5-4-12(18)6-13(14)10(2)24/h4-10,24H,3H2,1-2H3
InChIKeyZHGBTJFQRKVNRA-UHFFFAOYSA-N
XLogP2.65
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone (CID 164719011) is (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone is CCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C(C)O)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone?
The InChIKey is ZHGBTJFQRKVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-3-22-9-11(8-20-22)17(25)15-7-16(19)21-23(15)14-5-4-12(18)6-13(14)10(2)24/h4-10,24H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone has a molecular weight of 346.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone is sourced from PubChem (CID 164719011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).