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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Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
1-(2-furoyl)-4-[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 29026809
1-(3-methyl-2-furoyl)-4-[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 29256186
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780984
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-(3-thienylmethyl)piperidine-4-carboxylic acid
CID 56887404
2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71851462
1-[1-(2-furyl)ethyl]-4-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1H-1,2,3-triazole
CID 72915780
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-furylmethyl)-N-(2-thienylmethyl)methanamine
CID 46995428
N-benzyl-N-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1289335
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 2461467
N-(2-furylmethyl)-N-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 46989305
2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 51088658

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).