[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate

C10H14N2O3 — CID 175979649

IUPAC[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate
SMILESO=C(O)OC1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H14N2O3/c13-9(14)15-10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyCYDFHLHVKIDLKE-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.26
Rot. Bonds2

About [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate

[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate (PubChem CID 175979649) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate
PubChem CID175979649
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate
SMILESO=C(O)OC1(c2ccn[nH]2)CCCCC1
InChIInChI=1S/C10H14N2O3/c13-9(14)15-10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyCYDFHLHVKIDLKE-UHFFFAOYSA-N
XLogP2.26
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate?
The IUPAC name of [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate (CID 175979649) is [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate.
What is the SMILES notation for [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate?
The canonical SMILES for [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate is O=C(O)OC1(c2ccn[nH]2)CCCCC1.
What is the InChIKey of [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate?
The InChIKey is CYDFHLHVKIDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(14)15-10(5-2-1-3-6-10)8-4-7-11-12-8/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14).
What are the key properties of [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate?
[1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate has a molecular weight of 210.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazol-5-yl)cyclohexyl] hydrogen carbonate is sourced from PubChem (CID 175979649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).