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

C10H16N4O — CID 43116748

IUPAC2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(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
InChIKeyZWNWDVQJIOBMDR-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.65
Rot. Bonds2

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

2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43116748) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43116748
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(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
InChIKeyZWNWDVQJIOBMDR-UHFFFAOYSA-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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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
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2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
US10022354, Example 38
CID 121279682
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
tert-Butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CID 46738147
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
2-[4-[(1-Ethylpyrrolidin-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53504545

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 43116748) is 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZWNWDVQJIOBMDR-UHFFFAOYSA-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.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
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 2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43116748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).