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

C16H19N3OS — CID 50962104

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESCc1cc(CN(Cc2ccsc2)Cc2ccco2)n(C)n1
InChIInChI=1S/C16H19N3OS/c1-13-8-15(18(2)17-13)10-19(9-14-5-7-21-12-14)11-16-4-3-6-20-16/h3-8,12H,9-11H2,1-2H3
InChIKeyWCOIWFARGJIDTA-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.59
Rot. Bonds6

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine (PubChem CID 50962104) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
PubChem CID50962104
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESCc1cc(CN(Cc2ccsc2)Cc2ccco2)n(C)n1
InChIInChI=1S/C16H19N3OS/c1-13-8-15(18(2)17-13)10-19(9-14-5-7-21-12-14)11-16-4-3-6-20-16/h3-8,12H,9-11H2,1-2H3
InChIKeyWCOIWFARGJIDTA-UHFFFAOYSA-N
XLogP3.59
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-furylmethyl)-2-{5-methyl-3-[(2-thienylacetyl)amino]-1H-pyrazol-1-yl}acetamide
CID 1251125
(2-furylmethyl)[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](3-thienylmethyl)amine
CID 50983604
N-{[5-(2-furylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 56902259
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-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 2461467
3-cyclopropyl-N-(furan-2-ylmethyl)-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 8098319
N-(furan-2-ylmethyl)-2-(3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865720
5-(Furan-2-carbonyl)-2-(thiophen-2-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine
CID 53165183
N-(2-furylmethyl)-2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 53165229
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 71796650

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine (CID 50962104) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine is Cc1cc(CN(Cc2ccsc2)Cc2ccco2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
The InChIKey is WCOIWFARGJIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-13-8-15(18(2)17-13)10-19(9-14-5-7-21-12-14)11-16-4-3-6-20-16/h3-8,12H,9-11H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine has a molecular weight of 301.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50962104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).