9H-fluorene;methyl 1H-pyrazole-4-carboxylate

C18H16N2O2 — CID 157291728

IUPAC9H-fluorene;methyl 1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C5H6N2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-5(8)4-2-6-7-3-4/h1-8H,9H2;2-3H,1H3,(H,6,7)
InChIKeyBAWPPOGGQUZSHY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.45
Rot. Bonds1

About 9H-fluorene;methyl 1H-pyrazole-4-carboxylate

9H-fluorene;methyl 1H-pyrazole-4-carboxylate (PubChem CID 157291728) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 9H-fluorene;methyl 1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name9H-fluorene;methyl 1H-pyrazole-4-carboxylate
PubChem CID157291728
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name9H-fluorene;methyl 1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C5H6N2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-5(8)4-2-6-7-3-4/h1-8H,9H2;2-3H,1H3,(H,6,7)
InChIKeyBAWPPOGGQUZSHY-UHFFFAOYSA-N
XLogP3.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;methyl 1H-pyrazole-4-carboxylate?
The IUPAC name of 9H-fluorene;methyl 1H-pyrazole-4-carboxylate (CID 157291728) is 9H-fluorene;methyl 1H-pyrazole-4-carboxylate.
What is the SMILES notation for 9H-fluorene;methyl 1H-pyrazole-4-carboxylate?
The canonical SMILES for 9H-fluorene;methyl 1H-pyrazole-4-carboxylate is COC(=O)c1cn[nH]c1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;methyl 1H-pyrazole-4-carboxylate?
The InChIKey is BAWPPOGGQUZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C5H6N2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-5(8)4-2-6-7-3-4/h1-8H,9H2;2-3H,1H3,(H,6,7).
What are the key properties of 9H-fluorene;methyl 1H-pyrazole-4-carboxylate?
9H-fluorene;methyl 1H-pyrazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;methyl 1H-pyrazole-4-carboxylate is sourced from PubChem (CID 157291728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).