1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H22ClN3 — CID 82587587

IUPAC1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccccc1-n1nc(C2CCCCC2)c2c1CCNC2
InChIInChI=1S/C18H22ClN3/c19-15-8-4-5-9-17(15)22-16-10-11-20-12-14(16)18(21-22)13-6-2-1-3-7-13/h4-5,8-9,13,20H,1-3,6-7,10-12H2
InChIKeyATISWSAJAGGVHH-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.22
Rot. Bonds2

About 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587587) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587587
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccccc1-n1nc(C2CCCCC2)c2c1CCNC2
InChIInChI=1S/C18H22ClN3/c19-15-8-4-5-9-17(15)22-16-10-11-20-12-14(16)18(21-22)13-6-2-1-3-7-13/h4-5,8-9,13,20H,1-3,6-7,10-12H2
InChIKeyATISWSAJAGGVHH-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587587) is 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Clc1ccccc1-n1nc(C2CCCCC2)c2c1CCNC2.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is ATISWSAJAGGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-15-8-4-5-9-17(15)22-16-10-11-20-12-14(16)18(21-22)13-6-2-1-3-7-13/h4-5,8-9,13,20H,1-3,6-7,10-12H2.
What are the key properties of 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 315.85 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).