(3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

C13H16N6O2 — CID 135111113

About (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 135111113) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 135111113
• Molecular Formula: C13H16N6O2
• Molecular Weight: 288.31 g/mol
• Exact Mass: 288.13
• IUPAC Name: (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
• SMILES: Nc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)[nH]n1
• InChI: InChI=1S/C13H16N6O2/c14-12-4-10(17-18-12)13(21)19-6-8(11(20)7-19)3-9-5-15-1-2-16-9/h1-2,4-5,8,11,20H,3,6-7H2,(H3,14,17,18)/t8-,11-/m1/s1
• InChIKey: KIVPDRPAHVSHHQ-LDYMZIIASA-N
• XLogP: -0.54
• TPSA: 121.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.31
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 135111113) is (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone is Nc1cc(C(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)[nH]n1.

What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The InChIKey is KIVPDRPAHVSHHQ-LDYMZIIASA-N. The full InChI is InChI=1S/C13H16N6O2/c14-12-4-10(17-18-12)13(21)19-6-8(11(20)7-19)3-9-5-15-1-2-16-9/h1-2,4-5,8,11,20H,3,6-7H2,(H3,14,17,18)/t8-,11-/m1/s1.

What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone?

(3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 288.31 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135111113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).