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

C14H15N3OS — CID 50967281

IUPACN-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H15N3OS/c1-17(8-11-5-7-19-10-11)9-12-2-3-14(18-12)13-4-6-15-16-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyTTWVXTYWEGOPDA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 50967281) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID50967281
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H15N3OS/c1-17(8-11-5-7-19-10-11)9-12-2-3-14(18-12)13-4-6-15-16-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyTTWVXTYWEGOPDA-UHFFFAOYSA-N
XLogP3.36
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine 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
1-(1,1-dioxothiolan-3-yl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 56816508
(3S*,4R*)-4-(3-methyl-2-thienyl)-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidin-3-ol
CID 56702590
3-(5-Methyl-2-furyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 44723969
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
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-{[5-(1H-pyrazol-5-yl)-2-furyl]methyl}methanamine
CID 46995333
1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 75467751
N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
CID 131902156
N-[1-(3-thienyl)ethyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
CID 132423014
1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine;2,2,2-trifluoroacetic acid
CID 166229946

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine (CID 50967281) is N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is TTWVXTYWEGOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(8-11-5-7-19-10-11)9-12-2-3-14(18-12)13-4-6-15-16-13/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50967281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).