(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol

C17H19FN4O2 — CID 164719401

IUPAC(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol
SMILESCCn1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2CO)cn1
InChIInChI=1S/C17H19FN4O2/c1-3-21-9-13(8-19-21)17(24)16-6-11(2)20-22(16)15-5-4-14(18)7-12(15)10-23/h4-9,17,23-24H,3,10H2,1-2H3
InChIKeyYSCLBDMMTVVEMN-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.11
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol

(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol (PubChem CID 164719401) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol
PubChem CID164719401
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol
SMILESCCn1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2CO)cn1
InChIInChI=1S/C17H19FN4O2/c1-3-21-9-13(8-19-21)17(24)16-6-11(2)20-22(16)15-5-4-14(18)7-12(15)10-23/h4-9,17,23-24H,3,10H2,1-2H3
InChIKeyYSCLBDMMTVVEMN-UHFFFAOYSA-N
XLogP2.11
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol (CID 164719401) is (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol is CCn1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2CO)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol?
The InChIKey is YSCLBDMMTVVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-3-21-9-13(8-19-21)17(24)16-6-11(2)20-22(16)15-5-4-14(18)7-12(15)10-23/h4-9,17,23-24H,3,10H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol?
(1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol has a molecular weight of 330.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164719401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).