N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine

C17H25N3S — CID 64783953

IUPACN-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C2CCCC2)n1)c1ccsc1
InChIInChI=1S/C17H25N3S/c1-2-9-18-17(14-8-11-21-13-14)12-15-7-10-20(19-15)16-5-3-4-6-16/h7-8,10-11,13,16-18H,2-6,9,12H2,1H3
InChIKeyDWJAMZBIWZFWOV-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.34
Rot. Bonds7

About N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 64783953) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID64783953
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C2CCCC2)n1)c1ccsc1
InChIInChI=1S/C17H25N3S/c1-2-9-18-17(14-8-11-21-13-14)12-15-7-10-20(19-15)16-5-3-4-6-16/h7-8,10-11,13,16-18H,2-6,9,12H2,1H3
InChIKeyDWJAMZBIWZFWOV-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196762
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 104993958
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
[1-(1-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105314456

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine (CID 64783953) is N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccn(C2CCCC2)n1)c1ccsc1.
What is the InChIKey of N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is DWJAMZBIWZFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-9-18-17(14-8-11-21-13-14)12-15-7-10-20(19-15)16-5-3-4-6-16/h7-8,10-11,13,16-18H,2-6,9,12H2,1H3.
What are the key properties of N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 64783953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).