1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine

C16H23N3S — CID 105157011

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H23N3S/c1-17-15(10-13-7-9-20-12-13)11-14-6-8-19(18-14)16-4-2-3-5-16/h6-9,12,15-17H,2-5,10-11H2,1H3
InChIKeyDVTJKGGZVKYELP-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.43
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 105157011) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
PubChem CID105157011
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H23N3S/c1-17-15(10-13-7-9-20-12-13)11-14-6-8-19(18-14)16-4-2-3-5-16/h6-9,12,15-17H,2-5,10-11H2,1H3
InChIKeyDVTJKGGZVKYELP-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105314456
[1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105311732
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154784
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196762
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine (CID 105157011) is 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is DVTJKGGZVKYELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-17-15(10-13-7-9-20-12-13)11-14-6-8-19(18-14)16-4-2-3-5-16/h6-9,12,15-17H,2-5,10-11H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105157011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).