N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine

C16H23N3S — CID 43497220

IUPACN-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H23N3S/c1-3-8-17-16(13-10-18-19(2)11-13)15-9-12-6-4-5-7-14(12)20-15/h9-11,16-17H,3-8H2,1-2H3
InChIKeyFLMZSLVRKLCPSM-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.45
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine (PubChem CID 43497220) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
PubChem CID43497220
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H23N3S/c1-3-8-17-16(13-10-18-19(2)11-13)15-9-12-6-4-5-7-14(12)20-15/h9-11,16-17H,3-8H2,1-2H3
InChIKeyFLMZSLVRKLCPSM-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[furan-3-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115855474
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 105046465
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854665
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114981600
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653122
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine (CID 43497220) is N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FLMZSLVRKLCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-8-17-16(13-10-18-19(2)11-13)15-9-12-6-4-5-7-14(12)20-15/h9-11,16-17H,3-8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).