(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine

C17H24N4S — CID 136877601

IUPAC(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESc1csc([C@@H](NC[C@H]2CNc3ccnn3C2)C2CCCC2)c1
InChIInChI=1S/C17H24N4S/c1-2-5-14(4-1)17(15-6-3-9-22-15)19-11-13-10-18-16-7-8-20-21(16)12-13/h3,6-9,13-14,17-19H,1-2,4-5,10-12H2/t13-,17+/m1/s1
InChIKeyQFUSBZWHHUKGIT-DYVFJYSZSA-N
MW316.47 g/mol
LogP3.51
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine

(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 136877601) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID136877601
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESc1csc([C@@H](NC[C@H]2CNc3ccnn3C2)C2CCCC2)c1
InChIInChI=1S/C17H24N4S/c1-2-5-14(4-1)17(15-6-3-9-22-15)19-11-13-10-18-16-7-8-20-21(16)12-13/h3,6-9,13-14,17-19H,1-2,4-5,10-12H2/t13-,17+/m1/s1
InChIKeyQFUSBZWHHUKGIT-DYVFJYSZSA-N
XLogP3.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine (CID 136877601) is (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine is c1csc([C@@H](NC[C@H]2CNc3ccnn3C2)C2CCCC2)c1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is QFUSBZWHHUKGIT-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H24N4S/c1-2-5-14(4-1)17(15-6-3-9-22-15)19-11-13-10-18-16-7-8-20-21(16)12-13/h3,6-9,13-14,17-19H,1-2,4-5,10-12H2/t13-,17+/m1/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine?
(1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 316.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 136877601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).