tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate

C19H27N5O2 — CID 146502731

About tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate (PubChem CID 146502731) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
• PubChem CID: 146502731
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2cc(C3CC3)nc3ccnn23)C1
• InChI: InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-14-7-6-13(10-14)21-17-11-15(12-4-5-12)23-16-8-9-20-24(16)17/h8-9,11-14,21H,4-7,10H2,1-3H3,(H,22,25)/t13-,14-/m1/s1
• InChIKey: DADGNDCNDKRIAK-ZIAGYGMSSA-N
• XLogP: 3.46
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate (CID 146502731) is tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate.

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

The canonical SMILES for tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2cc(C3CC3)nc3ccnn23)C1.

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

The InChIKey is DADGNDCNDKRIAK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-14-7-6-13(10-14)21-17-11-15(12-4-5-12)23-16-8-9-20-24(16)17/h8-9,11-14,21H,4-7,10H2,1-3H3,(H,22,25)/t13-,14-/m1/s1.

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

tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate has a molecular weight of 357.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 146502731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).