N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine

C16H25N3S — CID 64800130

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCCC(CC)n1ccc(CNC(C)Cc2cccs2)n1
InChIInChI=1S/C16H25N3S/c1-4-15(5-2)19-9-8-14(18-19)12-17-13(3)11-16-7-6-10-20-16/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyJOMDEAJIPVWMRI-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.03
Rot. Bonds8

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 64800130) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID64800130
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCCC(CC)n1ccc(CNC(C)Cc2cccs2)n1
InChIInChI=1S/C16H25N3S/c1-4-15(5-2)19-9-8-14(18-19)12-17-13(3)11-16-7-6-10-20-16/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyJOMDEAJIPVWMRI-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 80526622
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 64800130) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine is CCC(CC)n1ccc(CNC(C)Cc2cccs2)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is JOMDEAJIPVWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-4-15(5-2)19-9-8-14(18-19)12-17-13(3)11-16-7-6-10-20-16/h6-10,13,15,17H,4-5,11-12H2,1-3H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 64800130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).