ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate

C9H13N3O2 — CID 21056777

IUPACethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-3-4-10-5-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKeyYPZLQVWKOHWDMZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.23
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 21056777) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID21056777
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-3-4-10-5-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKeyYPZLQVWKOHWDMZ-UHFFFAOYSA-N
XLogP0.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate (CID 21056777) is ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1n[nH]c2c1CCNC2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is YPZLQVWKOHWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-3-4-10-5-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12).
What are the key properties of ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 21056777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).