N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H25N3S — CID 105147845

IUPACN-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H25N3S/c1-5-9-17-15(7-6-14-8-10-20-11-14)16-12(2)18-19(4)13(16)3/h8,10-11,15,17H,5-7,9H2,1-4H3
InChIKeyOGMJDMWTUYHGAY-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.77
Rot. Bonds7

About N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105147845) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105147845
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H25N3S/c1-5-9-17-15(7-6-14-8-10-20-11-14)16-12(2)18-19(4)13(16)3/h8,10-11,15,17H,5-7,9H2,1-4H3
InChIKeyOGMJDMWTUYHGAY-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105137555
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105147845) is N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCCNC(CCc1ccsc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is OGMJDMWTUYHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-9-17-15(7-6-14-8-10-20-11-14)16-12(2)18-19(4)13(16)3/h8,10-11,15,17H,5-7,9H2,1-4H3.
What are the key properties of N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).