1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H25N3O — CID 82588157

IUPAC1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(Cc2nn(C(C)(C)C)c3c2CNCC3)cc1
InChIInChI=1S/C18H25N3O/c1-18(2,3)21-17-9-10-19-12-15(17)16(20-21)11-13-5-7-14(22-4)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKeyUZQUBMUEHLPQGP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.88
Rot. Bonds3

About 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82588157) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82588157
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(Cc2nn(C(C)(C)C)c3c2CNCC3)cc1
InChIInChI=1S/C18H25N3O/c1-18(2,3)21-17-9-10-19-12-15(17)16(20-21)11-13-5-7-14(22-4)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKeyUZQUBMUEHLPQGP-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588360
2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline
CID 110459170
3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4032058
ethyl 3-[3-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoate
CID 110459120
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 82022586
2-[(4-methoxyphenyl)methyl]-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741105
2-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941376
3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
CID 175042275
1-(2-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4311604
1-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3967869
1-(2,3-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4007186
8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
CID 110458496

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82588157) is 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(Cc2nn(C(C)(C)C)c3c2CNCC3)cc1.
What is the InChIKey of 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UZQUBMUEHLPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-18(2,3)21-17-9-10-19-12-15(17)16(20-21)11-13-5-7-14(22-4)8-6-13/h5-8,19H,9-12H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 299.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).