N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C18H23N3OS — CID 50983604

IUPACN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCn1ncc(CN(Cc2ccsc2)Cc2ccco2)c1C
InChIInChI=1S/C18H23N3OS/c1-3-7-21-15(2)17(10-19-21)12-20(11-16-6-9-23-14-16)13-18-5-4-8-22-18/h4-6,8-10,14H,3,7,11-13H2,1-2H3
InChIKeyYBLHXHRLYOACSA-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.46
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 50983604) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID50983604
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCn1ncc(CN(Cc2ccsc2)Cc2ccco2)c1C
InChIInChI=1S/C18H23N3OS/c1-3-7-21-15(2)17(10-19-21)12-20(11-16-6-9-23-14-16)13-18-5-4-8-22-18/h4-6,8-10,14H,3,7,11-13H2,1-2H3
InChIKeyYBLHXHRLYOACSA-UHFFFAOYSA-N
XLogP4.46
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 50983604) is N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is CCCn1ncc(CN(Cc2ccsc2)Cc2ccco2)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is YBLHXHRLYOACSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-7-21-15(2)17(10-19-21)12-20(11-16-6-9-23-14-16)13-18-5-4-8-22-18/h4-6,8-10,14H,3,7,11-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 329.47 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).