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

C15H23N3O — CID 106888845

IUPACN-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccc(CNC(C)C)o1
InChIInChI=1S/C15H23N3O/c1-5-6-14-13(10-18(4)17-14)15-8-7-12(19-15)9-16-11(2)3/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyVQOQLNASCABIDY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds6

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

N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888845) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888845
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccc(CNC(C)C)o1
InChIInChI=1S/C15H23N3O/c1-5-6-14-13(10-18(4)17-14)15-8-7-12(19-15)9-16-11(2)3/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyVQOQLNASCABIDY-UHFFFAOYSA-N
XLogP3.13
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158284
5-(1-methyl-3-propylpyrazol-4-yl)furan-2-carboxylic acid
CID 66009324
N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888768
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
CID 43624940
[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888861
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
CID 66009726
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (CID 106888845) is N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is CCCc1nn(C)cc1-c1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is VQOQLNASCABIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-6-14-13(10-18(4)17-14)15-8-7-12(19-15)9-16-11(2)3/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).