3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine

C15H27N3S — CID 103011691

IUPAC3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
SMILESCCCNC(CCc1ccnn1C)C1CCCCS1
InChIInChI=1S/C15H27N3S/c1-3-10-16-14(15-6-4-5-12-19-15)8-7-13-9-11-17-18(13)2/h9,11,14-16H,3-8,10,12H2,1-2H3
InChIKeyGTNXLAHSENAFDR-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.01
Rot. Bonds7

About 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine

3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine (PubChem CID 103011691) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
PubChem CID103011691
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
SMILESCCCNC(CCc1ccnn1C)C1CCCCS1
InChIInChI=1S/C15H27N3S/c1-3-10-16-14(15-6-4-5-12-19-15)8-7-13-9-11-17-18(13)2/h9,11,14-16H,3-8,10,12H2,1-2H3
InChIKeyGTNXLAHSENAFDR-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
N-[(2-methylpyrazol-3-yl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627643
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 80626828
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627877

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine (CID 103011691) is 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine is CCCNC(CCc1ccnn1C)C1CCCCS1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine?
The InChIKey is GTNXLAHSENAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-10-16-14(15-6-4-5-12-19-15)8-7-13-9-11-17-18(13)2/h9,11,14-16H,3-8,10,12H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine?
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine is sourced from PubChem (CID 103011691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).