1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C13H25N3S — CID 82878098

IUPAC1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C13H25N3S/c1-5-7-14-13(10-17-11(2)3)9-12-6-8-16(4)15-12/h6,8,11,13-14H,5,7,9-10H2,1-4H3
InChIKeyRTDUNUUGVSDANZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.47
Rot. Bonds8

About 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 82878098) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID82878098
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C13H25N3S/c1-5-7-14-13(10-17-11(2)3)9-12-6-8-16(4)15-12/h6,8,11,13-14H,5,7,9-10H2,1-4H3
InChIKeyRTDUNUUGVSDANZ-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 82876479
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 105025379
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 82878098) is 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)Cc1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is RTDUNUUGVSDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-14-13(10-17-11(2)3)9-12-6-8-16(4)15-12/h6,8,11,13-14H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 82878098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).