(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate

C10H9N3O3 — CID 70483568

IUPAC(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
SMILESNc1c(OC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C10H9N3O3/c11-9-8(16-10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKeyLZKBAAJGVPHVCA-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.51
Rot. Bonds2

About (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate

(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate (PubChem CID 70483568) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
PubChem CID70483568
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
SMILESNc1c(OC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C10H9N3O3/c11-9-8(16-10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKeyLZKBAAJGVPHVCA-UHFFFAOYSA-N
XLogP1.51
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate?
The IUPAC name of (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate (CID 70483568) is (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate?
The canonical SMILES for (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate is Nc1c(OC(=O)O)cnn1-c1ccccc1.
What is the InChIKey of (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate?
The InChIKey is LZKBAAJGVPHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9-8(16-10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15).
What are the key properties of (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate?
(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate has a molecular weight of 219.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 70483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).