N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine

C16H25N3O — CID 106888768

IUPACN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyMWNYKPHOOYRKEY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.67
Rot. Bonds6

About N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine

N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888768) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888768
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyMWNYKPHOOYRKEY-UHFFFAOYSA-N
XLogP3.67
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (CID 106888768) is N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is CCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C.
What is the InChIKey of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is MWNYKPHOOYRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).