ethane;1H-pyrazol-4-amine

C5H11N3 — CID 143220193

IUPACethane;1H-pyrazol-4-amine
SMILESCC.Nc1cn[nH]c1
InChIInChI=1S/C3H5N3.C2H6/c4-3-1-5-6-2-3;1-2/h1-2H,4H2,(H,5,6);1-2H3
InChIKeyIDKZORIAOOPRRX-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.02
Rot. Bonds

About ethane;1H-pyrazol-4-amine

ethane;1H-pyrazol-4-amine (PubChem CID 143220193) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is ethane;1H-pyrazol-4-amine.

Molecular Properties

Compound Nameethane;1H-pyrazol-4-amine
PubChem CID143220193
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Nameethane;1H-pyrazol-4-amine
SMILESCC.Nc1cn[nH]c1
InChIInChI=1S/C3H5N3.C2H6/c4-3-1-5-6-2-3;1-2/h1-2H,4H2,(H,5,6);1-2H3
InChIKeyIDKZORIAOOPRRX-UHFFFAOYSA-N
XLogP1.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrazol-4-amine?
The IUPAC name of ethane;1H-pyrazol-4-amine (CID 143220193) is ethane;1H-pyrazol-4-amine.
What is the SMILES notation for ethane;1H-pyrazol-4-amine?
The canonical SMILES for ethane;1H-pyrazol-4-amine is CC.Nc1cn[nH]c1.
What is the InChIKey of ethane;1H-pyrazol-4-amine?
The InChIKey is IDKZORIAOOPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.C2H6/c4-3-1-5-6-2-3;1-2/h1-2H,4H2,(H,5,6);1-2H3.
What are the key properties of ethane;1H-pyrazol-4-amine?
ethane;1H-pyrazol-4-amine has a molecular weight of 113.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrazol-4-amine is sourced from PubChem (CID 143220193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).