(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one

C9H15N3O — CID 125453235

IUPAC(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1[nH]c(=O)c2c1CNC[C@H]2C
InChIInChI=1S/C9H15N3O/c1-3-12-7-5-10-4-6(2)8(7)9(13)11-12/h6,10H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyMQVKAHJMBPJNLB-ZCFIWIBFSA-N
MW181.24 g/mol
LogP0.40
Rot. Bonds1

About (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one

(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 125453235) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID125453235
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1[nH]c(=O)c2c1CNC[C@H]2C
InChIInChI=1S/C9H15N3O/c1-3-12-7-5-10-4-6(2)8(7)9(13)11-12/h6,10H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyMQVKAHJMBPJNLB-ZCFIWIBFSA-N
XLogP0.40
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one (CID 125453235) is (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one is CCn1[nH]c(=O)c2c1CNC[C@H]2C.
What is the InChIKey of (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is MQVKAHJMBPJNLB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-12-7-5-10-4-6(2)8(7)9(13)11-12/h6,10H,3-5H2,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
(4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 125453235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).