4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

C18H17FN2O2 — CID 135567427

IUPAC4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21)
InChIKeyLSNAMSAWSQUHGB-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.16
Rot. Bonds3

About 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 135567427) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID135567427
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21)
InChIKeyLSNAMSAWSQUHGB-UHFFFAOYSA-N
XLogP4.16
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (CID 135567427) is 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is CCc1cc(-c2n[nH]c(C)c2-c2ccccc2F)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is LSNAMSAWSQUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 312.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135567427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).