1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine

C18H21N3O2S — CID 46991281

IUPAC1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cc(-c2ccc(CN(Cc3ccsc3)CC3CCCO3)o2)[nH]n1
InChIInChI=1S/C18H21N3O2S/c1-2-15(22-8-1)11-21(10-14-6-9-24-13-14)12-16-3-4-18(23-16)17-5-7-19-20-17/h3-7,9,13,15H,1-2,8,10-12H2,(H,19,20)
InChIKeyRCQJRTLQCBANMG-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.91
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine

1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46991281) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46991281
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cc(-c2ccc(CN(Cc3ccsc3)CC3CCCO3)o2)[nH]n1
InChIInChI=1S/C18H21N3O2S/c1-2-15(22-8-1)11-21(10-14-6-9-24-13-14)12-16-3-4-18(23-16)17-5-7-19-20-17/h3-7,9,13,15H,1-2,8,10-12H2,(H,19,20)
InChIKeyRCQJRTLQCBANMG-UHFFFAOYSA-N
XLogP3.91
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate
CID 2739720
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-(3-thienylmethyl)piperidine-4-carboxylic acid
CID 56887404
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-(2-thienylmethyl)piperidine-4-carboxylic acid
CID 70726800
(3S*,4R*)-4-(3-methyl-2-thienyl)-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidin-3-ol
CID 56702590
6-methyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4-thiazepane 1-oxide
CID 122139576
2-methyl-4-[(2S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124257299
(2-fluorobenzyl)(2-methoxyethyl){[5-(1H-pyrazol-5-yl)-2-furyl]methyl}amine
CID 46983379
3-(Furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154887745
1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine;2,2,2-trifluoroacetic acid
CID 166229946
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 16672003
N-(furan-2-ylmethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 19509106
[3-(2-Furyl)-1H-pyrazol-5-YL][4-(2-thienylcarbonyl)piperazino]methanone
CID 20910935

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine (CID 46991281) is 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine is c1cc(-c2ccc(CN(Cc3ccsc3)CC3CCCO3)o2)[nH]n1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is RCQJRTLQCBANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-15(22-8-1)11-21(10-14-6-9-24-13-14)12-16-3-4-18(23-16)17-5-7-19-20-17/h3-7,9,13,15H,1-2,8,10-12H2,(H,19,20).
What are the key properties of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 343.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46991281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).