N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine

C13H19N3OS — CID 107783199

IUPACN-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1ccoc1C
InChIInChI=1S/C13H19N3OS/c1-5-14-8-11-9(2)15-16(4)13(11)18-12-6-7-17-10(12)3/h6-7,14H,5,8H2,1-4H3
InChIKeyJHXHYUXXGQZTLO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.89
Rot. Bonds5

About N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine

N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine (PubChem CID 107783199) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
PubChem CID107783199
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1ccoc1C
InChIInChI=1S/C13H19N3OS/c1-5-14-8-11-9(2)15-16(4)13(11)18-12-6-7-17-10(12)3/h6-7,14H,5,8H2,1-4H3
InChIKeyJHXHYUXXGQZTLO-UHFFFAOYSA-N
XLogP2.89
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 106926566
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile
CID 107780125
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 63809837
N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783297
N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783272
N-[[1,3-dimethyl-5-(4-nitrophenyl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 63809238
N-[[1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-yl]methyl]ethanamine
CID 63814686
methyl 3-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 55238491
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
2-[1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-yl]sulfanylpropan-1-ol
CID 113374003
N-[[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63804911

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine (CID 107783199) is N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Sc1ccoc1C.
What is the InChIKey of N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is JHXHYUXXGQZTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-5-14-8-11-9(2)15-16(4)13(11)18-12-6-7-17-10(12)3/h6-7,14H,5,8H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107783199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).