ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C18H23N3O2 — CID 56703895

IUPACethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CNCC2
InChIInChI=1S/C18H23N3O2/c1-2-23-18(22)17-15-13-19-11-10-16(15)21(20-17)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,19H,2,6,9-13H2,1H3
InChIKeyYTOVDWPQWFLGHA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.34
Rot. Bonds6

About ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 56703895) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID56703895
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CNCC2
InChIInChI=1S/C18H23N3O2/c1-2-23-18(22)17-15-13-19-11-10-16(15)21(20-17)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,19H,2,6,9-13H2,1H3
InChIKeyYTOVDWPQWFLGHA-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Mfubinac
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Methyl 1-methyl-1H-indazole-3-carboxylate
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Ethyl 4-[(tert-butylamino)methyl]-5-(4-fluorophenyl)-1-phenylpyrazole-3-carboxylate
CID 162656674
Ethyl 4-[(tert-butylamino)methyl]-5-(4-methylphenyl)-1-phenylpyrazole-3-carboxylate
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US11098058, Example 21
CID 137408176
Ethyl 3-phenyl-1-prop-2-enylpyrazole-5-carboxylate
CID 23724292
ethyl 5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26227076

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 56703895) is ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CNCC2.
What is the InChIKey of ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is YTOVDWPQWFLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-18(22)17-15-13-19-11-10-16(15)21(20-17)12-6-9-14-7-4-3-5-8-14/h3-5,7-8,19H,2,6,9-13H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 56703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).