5-prop-1-enyl-1H-pyrazol-4-amine

C6H9N3 — CID 90117424

IUPAC5-prop-1-enyl-1H-pyrazol-4-amine
SMILESCC=Cc1[nH]ncc1N
InChIInChI=1S/C6H9N3/c1-2-3-6-5(7)4-8-9-6/h2-4H,7H2,1H3,(H,8,9)
InChIKeyTUTABEZZYRNBBC-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.02
Rot. Bonds1

About 5-prop-1-enyl-1H-pyrazol-4-amine

5-prop-1-enyl-1H-pyrazol-4-amine (PubChem CID 90117424) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-prop-1-enyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-prop-1-enyl-1H-pyrazol-4-amine
PubChem CID90117424
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-prop-1-enyl-1H-pyrazol-4-amine
SMILESCC=Cc1[nH]ncc1N
InChIInChI=1S/C6H9N3/c1-2-3-6-5(7)4-8-9-6/h2-4H,7H2,1H3,(H,8,9)
InChIKeyTUTABEZZYRNBBC-UHFFFAOYSA-N
XLogP1.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-1H-pyrazol-4-amine?
The IUPAC name of 5-prop-1-enyl-1H-pyrazol-4-amine (CID 90117424) is 5-prop-1-enyl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-prop-1-enyl-1H-pyrazol-4-amine?
The canonical SMILES for 5-prop-1-enyl-1H-pyrazol-4-amine is CC=Cc1[nH]ncc1N.
What is the InChIKey of 5-prop-1-enyl-1H-pyrazol-4-amine?
The InChIKey is TUTABEZZYRNBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-6-5(7)4-8-9-6/h2-4H,7H2,1H3,(H,8,9).
What are the key properties of 5-prop-1-enyl-1H-pyrazol-4-amine?
5-prop-1-enyl-1H-pyrazol-4-amine has a molecular weight of 123.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-1H-pyrazol-4-amine is sourced from PubChem (CID 90117424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).