1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one

C11H17N5O — CID 80579181

IUPAC1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCn2ccc(N)n2)c1=O
InChIInChI=1S/C11H17N5O/c1-2-4-14-6-7-15(11(14)17)8-9-16-5-3-10(12)13-16/h3,5-7H,2,4,8-9H2,1H3,(H2,12,13)
InChIKeyNOVDQPVHYGRCCK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.54
Rot. Bonds5

About 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one

1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one (PubChem CID 80579181) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one
PubChem CID80579181
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCn2ccc(N)n2)c1=O
InChIInChI=1S/C11H17N5O/c1-2-4-14-6-7-15(11(14)17)8-9-16-5-3-10(12)13-16/h3,5-7H,2,4,8-9H2,1H3,(H2,12,13)
InChIKeyNOVDQPVHYGRCCK-UHFFFAOYSA-N
XLogP0.54
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethylsulfonylethyl)pyrazol-3-amine
CID 54594595
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
4-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpiperazin-2-one
CID 64680893
1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
CID 80582385
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-(2-indol-1-ylethyl)pyrazol-3-amine
CID 55206221
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 63316363
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
CID 63310974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one (CID 80579181) is 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCn2ccc(N)n2)c1=O.
What is the InChIKey of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one?
The InChIKey is NOVDQPVHYGRCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-4-14-6-7-15(11(14)17)8-9-16-5-3-10(12)13-16/h3,5-7H,2,4,8-9H2,1H3,(H2,12,13).
What are the key properties of 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one?
1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80579181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).