N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine

C14H21N3S — CID 114219164

IUPACN-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(C)n(C)n1
InChIInChI=1S/C14H21N3S/c1-4-7-15-13(10-12-6-5-8-18-12)14-9-11(2)17(3)16-14/h5-6,8-9,13,15H,4,7,10H2,1-3H3
InChIKeyHOIVKHPYVOPWGQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 114219164) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID114219164
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cc(C)n(C)n1
InChIInChI=1S/C14H21N3S/c1-4-7-15-13(10-12-6-5-8-18-12)14-9-11(2)17(3)16-14/h5-6,8-9,13,15H,4,7,10H2,1-3H3
InChIKeyHOIVKHPYVOPWGQ-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 82876479
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 112735841
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine (CID 114219164) is N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1cc(C)n(C)n1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is HOIVKHPYVOPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-7-15-13(10-12-6-5-8-18-12)14-9-11(2)17(3)16-14/h5-6,8-9,13,15H,4,7,10H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 114219164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).