2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine

C14H21N3S — CID 80526182

IUPAC2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
SMILESCC(NCC(C)(C)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C14H21N3S/c1-11(12-8-16-17(4)9-12)15-10-14(2,3)13-6-5-7-18-13/h5-9,11,15H,10H2,1-4H3
InChIKeyUUPXETUCPWTMIL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine

2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526182) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
PubChem CID80526182
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
SMILESCC(NCC(C)(C)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C14H21N3S/c1-11(12-8-16-17(4)9-12)15-10-14(2,3)13-6-5-7-18-13/h5-9,11,15H,10H2,1-4H3
InChIKeyUUPXETUCPWTMIL-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 82991870
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80525978
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
1-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62881310
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine (CID 80526182) is 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine is CC(NCC(C)(C)c1cccs1)c1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UUPXETUCPWTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(12-8-16-17(4)9-12)15-10-14(2,3)13-6-5-7-18-13/h5-9,11,15H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).