[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine

C8H9N3O — CID 79487509

IUPAC[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccco1
InChIInChI=1S/C8H9N3O/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4,9H2,(H,10,11)
InChIKeyAQMIPVPQWZRTNR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.13
Rot. Bonds2

About [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine

[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487509) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487509
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccco1
InChIInChI=1S/C8H9N3O/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4,9H2,(H,10,11)
InChIKeyAQMIPVPQWZRTNR-UHFFFAOYSA-N
XLogP1.13
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine (CID 79487509) is [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1ccco1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is AQMIPVPQWZRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4,9H2,(H,10,11).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine?
[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 163.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).