3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H24N4S — CID 115706659

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1cc(C)n(CCCNC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C15H24N4S/c1-10-9-11(2)19(18-10)8-6-7-16-12(3)15-13(4)17-14(5)20-15/h9,12,16H,6-8H2,1-5H3
InChIKeyKRAJYBVEPGBAMG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.31
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115706659) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115706659
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1cc(C)n(CCCNC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C15H24N4S/c1-10-9-11(2)19(18-10)8-6-7-16-12(3)15-13(4)17-14(5)20-15/h9,12,16H,6-8H2,1-5H3
InChIKeyKRAJYBVEPGBAMG-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536319
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115706659) is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1cc(C)n(CCCNC(C)c2sc(C)nc2C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is KRAJYBVEPGBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10-9-11(2)19(18-10)8-6-7-16-12(3)15-13(4)17-14(5)20-15/h9,12,16H,6-8H2,1-5H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115706659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).