1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine

C14H21N3S — CID 82876479

IUPAC1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccn(C)n1)Cc1cccs1
InChIInChI=1S/C14H21N3S/c1-3-7-15-13(11-14-5-4-9-18-14)10-12-6-8-17(2)16-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3
InChIKeyGGTOYCNTOLEMFP-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.63
Rot. Bonds7

About 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine

1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 82876479) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID82876479
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccn(C)n1)Cc1cccs1
InChIInChI=1S/C14H21N3S/c1-3-7-15-13(11-14-5-4-9-18-14)10-12-6-8-17(2)16-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3
InChIKeyGGTOYCNTOLEMFP-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.63
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-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134365
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114219164
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 82876479) is 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(Cc1ccn(C)n1)Cc1cccs1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is GGTOYCNTOLEMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-7-15-13(11-14-5-4-9-18-14)10-12-6-8-17(2)16-12/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 2.63, 7 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)-N-propyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 82876479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).