(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C13H19N3O — CID 95287009

IUPAC(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2ccc(C)o2)c1
InChIInChI=1S/C13H19N3O/c1-10-6-15-16(8-10)9-11(2)14-7-13-5-4-12(3)17-13/h4-6,8,11,14H,7,9H2,1-3H3/t11-/m1/s1
InChIKeyDBKYISJZQQOUGC-LLVKDONJSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds5

About (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95287009) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95287009
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2ccc(C)o2)c1
InChIInChI=1S/C13H19N3O/c1-10-6-15-16(8-10)9-11(2)14-7-13-5-4-12(3)17-13/h4-6,8,11,14H,7,9H2,1-3H3/t11-/m1/s1
InChIKeyDBKYISJZQQOUGC-LLVKDONJSA-N
XLogP2.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95287009) is (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@@H](C)NCc2ccc(C)o2)c1.
What is the InChIKey of (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is DBKYISJZQQOUGC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-15-16(8-10)9-11(2)14-7-13-5-4-12(3)17-13/h4-6,8,11,14H,7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95287009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).