5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine

C7H8N4 — CID 58970119

IUPAC5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2=CN=CC2)[nH]n1
InChIInChI=1S/C7H8N4/c8-7-3-6(10-11-7)5-1-2-9-4-5/h2-4H,1H2,(H3,8,10,11)
InChIKeyXITXANJWRJNCPI-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.81
Rot. Bonds1

About 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine

5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine (PubChem CID 58970119) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine
PubChem CID58970119
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2=CN=CC2)[nH]n1
InChIInChI=1S/C7H8N4/c8-7-3-6(10-11-7)5-1-2-9-4-5/h2-4H,1H2,(H3,8,10,11)
InChIKeyXITXANJWRJNCPI-UHFFFAOYSA-N
XLogP0.81
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine (CID 58970119) is 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine is Nc1cc(C2=CN=CC2)[nH]n1.
What is the InChIKey of 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine?
The InChIKey is XITXANJWRJNCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-7-3-6(10-11-7)5-1-2-9-4-5/h2-4H,1H2,(H3,8,10,11).
What are the key properties of 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine?
5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine has a molecular weight of 148.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 58970119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).