[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine

C12H17N3O — CID 106888850

IUPAC[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCCCc1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C12H17N3O/c1-3-4-11-10(8-15(2)14-11)12-6-5-9(7-13)16-12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyHASZTLPSTGGWSK-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.09
Rot. Bonds4

About [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine

[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888850) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888850
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCCCc1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C12H17N3O/c1-3-4-11-10(8-15(2)14-11)12-6-5-9(7-13)16-12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyHASZTLPSTGGWSK-UHFFFAOYSA-N
XLogP2.09
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888850) is [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine is CCCc1nn(C)cc1-c1ccc(CN)o1.
What is the InChIKey of [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is HASZTLPSTGGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-11-10(8-15(2)14-11)12-6-5-9(7-13)16-12/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).