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

C20H25ClN4O2 — CID 42196962

IUPACethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-2-27-20(26)24-10-7-16(8-11-24)25-12-9-18-17(13-25)19(23-22-18)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,23)
InChIKeyMPPXJLZCUVBJQL-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.71
Rot. Bonds3

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

ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (PubChem CID 42196962) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
PubChem CID42196962
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Nameethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-2-27-20(26)24-10-7-16(8-11-24)25-12-9-18-17(13-25)19(23-22-18)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,23)
InChIKeyMPPXJLZCUVBJQL-UHFFFAOYSA-N
XLogP3.71
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (CID 42196962) is ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)CC1.
What is the InChIKey of ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The InChIKey is MPPXJLZCUVBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-2-27-20(26)24-10-7-16(8-11-24)25-12-9-18-17(13-25)19(23-22-18)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,22,23).
What are the key properties of ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate has a molecular weight of 388.90 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 42196962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).