N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine

C17H27N3O — CID 46989305

IUPACN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1cnn(CCC)c1C
InChIInChI=1S/C17H27N3O/c1-4-6-10-19(14-17-8-7-11-21-17)13-16-12-18-20(9-5-2)15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyKVFVSOSXDIMTAN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.00
Rot. Bonds9

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

N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 46989305) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID46989305
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1cnn(CCC)c1C
InChIInChI=1S/C17H27N3O/c1-4-6-10-19(14-17-8-7-11-21-17)13-16-12-18-20(9-5-2)15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyKVFVSOSXDIMTAN-UHFFFAOYSA-N
XLogP4.00
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine (CID 46989305) is N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine is CCCCN(Cc1ccco1)Cc1cnn(CCC)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is KVFVSOSXDIMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-6-10-19(14-17-8-7-11-21-17)13-16-12-18-20(9-5-2)15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine?
N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 46989305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).