tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate

C20H31N5O2 — CID 146502762

About tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate (PubChem CID 146502762) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
• PubChem CID: 146502762
• Molecular Formula: C20H31N5O2
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.25
• IUPAC Name: tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
• SMILES: CCC(C)c1cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n2nccc2n1
• InChI: InChI=1S/C20H31N5O2/c1-6-13(2)16-12-18(25-17(24-16)9-10-21-25)22-14-7-8-15(11-14)23-19(26)27-20(3,4)5/h9-10,12-15,22H,6-8,11H2,1-5H3,(H,23,26)/t13?,14-,15-/m0/s1
• InChIKey: UKWDMYKNFSTODY-FGRDXJNISA-N
• XLogP: 4.10
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate?

The IUPAC name of tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate (CID 146502762) is tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate?

The canonical SMILES for tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate is CCC(C)c1cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n2nccc2n1.

What is the InChIKey of tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate?

The InChIKey is UKWDMYKNFSTODY-FGRDXJNISA-N. The full InChI is InChI=1S/C20H31N5O2/c1-6-13(2)16-12-18(25-17(24-16)9-10-21-25)22-14-7-8-15(11-14)23-19(26)27-20(3,4)5/h9-10,12-15,22H,6-8,11H2,1-5H3,(H,23,26)/t13?,14-,15-/m0/s1.

What are the key properties of tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate?

tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate has a molecular weight of 373.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 146502762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).