(4-amino-1H-pyrazol-5-yl) hydrogen carbonate

C4H5N3O3 — CID 70139053

IUPAC(4-amino-1H-pyrazol-5-yl) hydrogen carbonate
SMILESNc1cn[nH]c1OC(=O)O
InChIInChI=1S/C4H5N3O3/c5-2-1-6-7-3(2)10-4(8)9/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyDJVYJIQNXKPVNA-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.05
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl) hydrogen carbonate

(4-amino-1H-pyrazol-5-yl) hydrogen carbonate (PubChem CID 70139053) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl) hydrogen carbonate
PubChem CID70139053
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name(4-amino-1H-pyrazol-5-yl) hydrogen carbonate
SMILESNc1cn[nH]c1OC(=O)O
InChIInChI=1S/C4H5N3O3/c5-2-1-6-7-3(2)10-4(8)9/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyDJVYJIQNXKPVNA-UHFFFAOYSA-N
XLogP0.05
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl) hydrogen carbonate?
The IUPAC name of (4-amino-1H-pyrazol-5-yl) hydrogen carbonate (CID 70139053) is (4-amino-1H-pyrazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl) hydrogen carbonate?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl) hydrogen carbonate is Nc1cn[nH]c1OC(=O)O.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl) hydrogen carbonate?
The InChIKey is DJVYJIQNXKPVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c5-2-1-6-7-3(2)10-4(8)9/h1H,5H2,(H,6,7)(H,8,9).
What are the key properties of (4-amino-1H-pyrazol-5-yl) hydrogen carbonate?
(4-amino-1H-pyrazol-5-yl) hydrogen carbonate has a molecular weight of 143.10 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 70139053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).