N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

C16H25N3S — CID 102842163

IUPACN-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)c1cc(CC)nn1CC
InChIInChI=1S/C16H25N3S/c1-5-9-17-16(14-8-10-20-12(14)4)15-11-13(6-2)18-19(15)7-3/h8,10-11,16-17H,5-7,9H2,1-4H3
InChIKeyHPPZABCTQCHMNK-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.92
Rot. Bonds7

About N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102842163) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102842163
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)c1cc(CC)nn1CC
InChIInChI=1S/C16H25N3S/c1-5-9-17-16(14-8-10-20-12(14)4)15-11-13(6-2)18-19(15)7-3/h8,10-11,16-17H,5-7,9H2,1-4H3
InChIKeyHPPZABCTQCHMNK-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[(2-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 102832783
N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 102840891

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102842163) is N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1C)c1cc(CC)nn1CC.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is HPPZABCTQCHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-9-17-16(14-8-10-20-12(14)4)15-11-13(6-2)18-19(15)7-3/h8,10-11,16-17H,5-7,9H2,1-4H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102842163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).