[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate

C16H20N4O2 — CID 140609218

IUPAC[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate
SMILESCn1nc([C@H]2CCCN2OC(=O)Cc2ccccc2)cc1N
InChIInChI=1S/C16H20N4O2/c1-19-15(17)11-13(18-19)14-8-5-9-20(14)22-16(21)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10,17H2,1H3/t14-/m1/s1
InChIKeyHCHYIBZXSULIGM-CQSZACIVSA-N
MW300.36 g/mol
LogP1.84
Rot. Bonds4

About [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate

[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate (PubChem CID 140609218) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate.

Molecular Properties

Compound Name[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate
PubChem CID140609218
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate
SMILESCn1nc([C@H]2CCCN2OC(=O)Cc2ccccc2)cc1N
InChIInChI=1S/C16H20N4O2/c1-19-15(17)11-13(18-19)14-8-5-9-20(14)22-16(21)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10,17H2,1H3/t14-/m1/s1
InChIKeyHCHYIBZXSULIGM-CQSZACIVSA-N
XLogP1.84
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate?
The IUPAC name of [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate (CID 140609218) is [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate.
What is the SMILES notation for [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate?
The canonical SMILES for [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate is Cn1nc([C@H]2CCCN2OC(=O)Cc2ccccc2)cc1N.
What is the InChIKey of [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate?
The InChIKey is HCHYIBZXSULIGM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-15(17)11-13(18-19)14-8-5-9-20(14)22-16(21)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10,17H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate?
[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate has a molecular weight of 300.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate is sourced from PubChem (CID 140609218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).