3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine

C10H13N3O — CID 121214021

IUPAC3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C10H13N3O/c11-4-2-5-13-8-9(7-12-13)10-3-1-6-14-10/h1,3,6-8H,2,4-5,11H2
InChIKeyCCMSEIADIHYWMI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.49
Rot. Bonds4

About 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine

3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine (PubChem CID 121214021) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
PubChem CID121214021
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C10H13N3O/c11-4-2-5-13-8-9(7-12-13)10-3-1-6-14-10/h1,3,6-8H,2,4-5,11H2
InChIKeyCCMSEIADIHYWMI-UHFFFAOYSA-N
XLogP1.49
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine (CID 121214021) is 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine is NCCCn1cc(-c2ccco2)cn1.
What is the InChIKey of 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine?
The InChIKey is CCMSEIADIHYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-4-2-5-13-8-9(7-12-13)10-3-1-6-14-10/h1,3,6-8H,2,4-5,11H2.
What are the key properties of 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine?
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine has a molecular weight of 191.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 121214021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).