(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C10H16N4O — CID 28927627

IUPAC(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)n1cc(N)cn1
InChIInChI=1S/C10H16N4O/c1-8(14-7-9(11)6-12-14)10(15)13-4-2-3-5-13/h6-8H,2-5,11H2,1H3/t8-/m1/s1
InChIKeyZWNWDVQJIOBMDR-MRVPVSSYSA-N
MW208.27 g/mol
LogP0.65
Rot. Bonds2

About (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 28927627) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID28927627
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)n1cc(N)cn1
InChIInChI=1S/C10H16N4O/c1-8(14-7-9(11)6-12-14)10(15)13-4-2-3-5-13/h6-8H,2-5,11H2,1H3/t8-/m1/s1
InChIKeyZWNWDVQJIOBMDR-MRVPVSSYSA-N
XLogP0.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 28927627) is (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is C[C@H](C(=O)N1CCCC1)n1cc(N)cn1.
What is the InChIKey of (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZWNWDVQJIOBMDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(14-7-9(11)6-12-14)10(15)13-4-2-3-5-13/h6-8H,2-5,11H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 208.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 28927627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).