2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine

C14H17N3O — CID 63997715

IUPAC2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C14H17N3O/c1-5-14(3,4)15-8-11-9-16-17-13(11)12-7-6-10(2)18-12/h1,6-7,9,15H,8H2,2-4H3,(H,16,17)
InChIKeyDNFWYJPRULCULQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine

2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine (PubChem CID 63997715) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
PubChem CID63997715
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C14H17N3O/c1-5-14(3,4)15-8-11-9-16-17-13(11)12-7-6-10(2)18-12/h1,6-7,9,15H,8H2,2-4H3,(H,16,17)
InChIKeyDNFWYJPRULCULQ-UHFFFAOYSA-N
XLogP2.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine (CID 63997715) is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine is C#CC(C)(C)NCc1cn[nH]c1-c1ccc(C)o1.
What is the InChIKey of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine?
The InChIKey is DNFWYJPRULCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-5-14(3,4)15-8-11-9-16-17-13(11)12-7-6-10(2)18-12/h1,6-7,9,15H,8H2,2-4H3,(H,16,17).
What are the key properties of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine?
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine is sourced from PubChem (CID 63997715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).