N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine

C12H17N3O — CID 106887263

IUPACN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C12H17N3O/c1-9(2)13-8-10-4-5-12(16-10)11-6-7-14-15(11)3/h4-7,9,13H,8H2,1-3H3
InChIKeyNNBMVORTRKMBHR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.18
Rot. Bonds4

About N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine

N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106887263) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106887263
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C12H17N3O/c1-9(2)13-8-10-4-5-12(16-10)11-6-7-14-15(11)3/h4-7,9,13H,8H2,1-3H3
InChIKeyNNBMVORTRKMBHR-UHFFFAOYSA-N
XLogP2.18
TPSA42.99 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine (CID 106887263) is N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccnn2C)o1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is NNBMVORTRKMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)13-8-10-4-5-12(16-10)11-6-7-14-15(11)3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106887263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).