3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

C19H20ClN3O — CID 110536407

IUPAC3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESClc1ccc(COc2cccc(C3NN=C4CCNCC43)c2)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)19-17-11-21-9-8-18(17)22-23-19/h1-7,10,17,19,21,23H,8-9,11-12H2
InChIKeyNPRXXGUXFCACKI-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.53
Rot. Bonds4

About 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (PubChem CID 110536407) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
PubChem CID110536407
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESClc1ccc(COc2cccc(C3NN=C4CCNCC43)c2)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)19-17-11-21-9-8-18(17)22-23-19/h1-7,10,17,19,21,23H,8-9,11-12H2
InChIKeyNPRXXGUXFCACKI-UHFFFAOYSA-N
XLogP3.53
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110540532
1-[3-[(4-chlorophenyl)methoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 5172171
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol
CID 110539997
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537209
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
3-(4-hexoxy-3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537027
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538506

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (CID 110536407) is 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is Clc1ccc(COc2cccc(C3NN=C4CCNCC43)c2)cc1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is NPRXXGUXFCACKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)19-17-11-21-9-8-18(17)22-23-19/h1-7,10,17,19,21,23H,8-9,11-12H2.
What are the key properties of 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 341.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110536407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).