(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate

C10H8N2O3 — CID 68634601

IUPAC(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C10H8N2O3/c13-10(14)15-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyAFMCWKNNPIOMSE-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.13
Rot. Bonds2

About (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate

(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate (PubChem CID 68634601) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate
PubChem CID68634601
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C10H8N2O3/c13-10(14)15-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyAFMCWKNNPIOMSE-UHFFFAOYSA-N
XLogP2.13
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate?
The IUPAC name of (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate (CID 68634601) is (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate.
What is the SMILES notation for (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate?
The canonical SMILES for (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate is O=C(O)Oc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate?
The InChIKey is AFMCWKNNPIOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)15-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14).
What are the key properties of (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate?
(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate has a molecular weight of 204.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate is sourced from PubChem (CID 68634601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).