1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C14H23N5O — CID 103194465

IUPAC1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCc1nn(C)c(N2CCCC3C(=O)NCC32)c1N
InChIInChI=1S/C14H23N5O/c1-3-5-10-12(15)14(18(2)17-10)19-7-4-6-9-11(19)8-16-13(9)20/h9,11H,3-8,15H2,1-2H3,(H,16,20)
InChIKeyNPYQUKBERAGSOK-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.67
Rot. Bonds3

About 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103194465) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103194465
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCc1nn(C)c(N2CCCC3C(=O)NCC32)c1N
InChIInChI=1S/C14H23N5O/c1-3-5-10-12(15)14(18(2)17-10)19-7-4-6-9-11(19)8-16-13(9)20/h9,11H,3-8,15H2,1-2H3,(H,16,20)
InChIKeyNPYQUKBERAGSOK-UHFFFAOYSA-N
XLogP0.67
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103194465) is 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is CCCc1nn(C)c(N2CCCC3C(=O)NCC32)c1N.
What is the InChIKey of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NPYQUKBERAGSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-5-10-12(15)14(18(2)17-10)19-7-4-6-9-11(19)8-16-13(9)20/h9,11H,3-8,15H2,1-2H3,(H,16,20).
What are the key properties of 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 277.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103194465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).