1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine

C17H23N3S — CID 64800283

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H23N3S/c1-2-6-15(5-1)20-9-8-14(19-20)11-18-12-16-10-13-4-3-7-17(13)21-16/h8-10,15,18H,1-7,11-12H2
InChIKeyXWQWPGTVXYNEDP-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.84
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine

1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine (PubChem CID 64800283) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
PubChem CID64800283
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
SMILESc1cn(C2CCCC2)nc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H23N3S/c1-2-6-15(5-1)20-9-8-14(19-20)11-18-12-16-10-13-4-3-7-17(13)21-16/h8-10,15,18H,1-7,11-12H2
InChIKeyXWQWPGTVXYNEDP-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
1-(1-cyclopentylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64801052
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 64801065
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
CID 112755344
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine (CID 64800283) is 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine is c1cn(C2CCCC2)nc1CNCc1cc2c(s1)CCC2.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The InChIKey is XWQWPGTVXYNEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-6-15(5-1)20-9-8-14(19-20)11-18-12-16-10-13-4-3-7-17(13)21-16/h8-10,15,18H,1-7,11-12H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 3.84, 5 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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 64800283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).