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

C15H16ClN3O2 — CID 82587186

IUPACethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CNCC2
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)14-12-9-17-8-7-13(12)19(18-14)11-5-3-10(16)4-6-11/h3-6,17H,2,7-9H2,1H3
InChIKeyJVBZODGMYWJJJI-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.35
Rot. Bonds3

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

ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 82587186) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID82587186
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Nameethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CNCC2
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)14-12-9-17-8-7-13(12)19(18-14)11-5-3-10(16)4-6-11/h3-6,17H,2,7-9H2,1H3
InChIKeyJVBZODGMYWJJJI-UHFFFAOYSA-N
XLogP2.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 110458985
ethyl 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 9267927
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 3-(4-chlorophenyl)-7-hydroxy-4,5-dioxo-6,7-dihydropyrrolo[3,4-d]pyridazine-1-carboxylate
CID 70686363
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
ethyl 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 177302574
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
ethyl 1-[1-[2-(difluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 138471702

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 82587186) is ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CNCC2.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is JVBZODGMYWJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-21-15(20)14-12-9-17-8-7-13(12)19(18-14)11-5-3-10(16)4-6-11/h3-6,17H,2,7-9H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 82587186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).