(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H25N3S — CID 99635119

IUPAC(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1sccc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H25N3S/c1-7-14(15-11(3)18-19(6)13(15)5)17-12(4)16-10(2)8-9-20-16/h8-9,12,14,17H,7H2,1-6H3/t12-,14+/m0/s1
InChIKeyLXLKCCKKMQIWDC-GXTWGEPZSA-N
MW291.46 g/mol
LogP4.21
Rot. Bonds5

About (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 99635119) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID99635119
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1sccc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H25N3S/c1-7-14(15-11(3)18-19(6)13(15)5)17-12(4)16-10(2)8-9-20-16/h8-9,12,14,17H,7H2,1-6H3/t12-,14+/m0/s1
InChIKeyLXLKCCKKMQIWDC-GXTWGEPZSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1R)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635121
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105322374
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
1-(3-methylthiophen-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63992848
[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494
1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105166584
(3S)-N-(2-methylphenyl)-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]butanamide
CID 97233003
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 115717343
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 43204555
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 99635119) is (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CC[C@@H](N[C@@H](C)c1sccc1C)c1c(C)nn(C)c1C.
What is the InChIKey of (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is LXLKCCKKMQIWDC-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N3S/c1-7-14(15-11(3)18-19(6)13(15)5)17-12(4)16-10(2)8-9-20-16/h8-9,12,14,17H,7H2,1-6H3/t12-,14+/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 99635119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).