[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate

C10H10N4O3 — CID 118976137

IUPAC[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate
SMILESCc1cc(OC(=O)O)nn1Cc1ncccn1
InChIInChI=1S/C10H10N4O3/c1-7-5-9(17-10(15)16)13-14(7)6-8-11-3-2-4-12-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLBXGLLJDWHBBQT-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.09
Rot. Bonds3

About [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate

[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate (PubChem CID 118976137) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate
PubChem CID118976137
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate
SMILESCc1cc(OC(=O)O)nn1Cc1ncccn1
InChIInChI=1S/C10H10N4O3/c1-7-5-9(17-10(15)16)13-14(7)6-8-11-3-2-4-12-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLBXGLLJDWHBBQT-UHFFFAOYSA-N
XLogP1.09
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate?
The IUPAC name of [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate (CID 118976137) is [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate.
What is the SMILES notation for [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate?
The canonical SMILES for [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate is Cc1cc(OC(=O)O)nn1Cc1ncccn1.
What is the InChIKey of [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate?
The InChIKey is LBXGLLJDWHBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7-5-9(17-10(15)16)13-14(7)6-8-11-3-2-4-12-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate?
[5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate has a molecular weight of 234.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-3-yl] hydrogen carbonate is sourced from PubChem (CID 118976137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).