5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C20H22ClN3O — CID 141302994

IUPAC5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(N2CC3=C(CCN(Cc4ccc(Cl)cc4)C3)N2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-19-8-6-18(7-9-19)24-14-16-13-23(11-10-20(16)22-24)12-15-2-4-17(21)5-3-15/h2-9,22H,10-14H2,1H3
InChIKeyPMVNHJGXGJTHPE-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.83
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 141302994) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID141302994
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(N2CC3=C(CCN(Cc4ccc(Cl)cc4)C3)N2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-19-8-6-18(7-9-19)24-14-16-13-23(11-10-20(16)22-24)12-15-2-4-17(21)5-3-15/h2-9,22H,10-14H2,1H3
InChIKeyPMVNHJGXGJTHPE-UHFFFAOYSA-N
XLogP3.83
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

2-[5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-2-yl]ethanol
CID 141302993
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 15690617
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
2-tert-butyl-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919982
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 141302994) is 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is COc1ccc(N2CC3=C(CCN(Cc4ccc(Cl)cc4)C3)N2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is PMVNHJGXGJTHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-19-8-6-18(7-9-19)24-14-16-13-23(11-10-20(16)22-24)12-15-2-4-17(21)5-3-15/h2-9,22H,10-14H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 355.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 141302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).