1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine

C22H21N3 — CID 141188146

IUPAC1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine
SMILESCCc1cc2c(c(C)n1)c(-c1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C22H21N3/c1-3-19-14-20-21(16(2)23-19)22(18-12-8-5-9-13-18)24-25(20)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKeyPLYOOLIDPLKWHD-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.02
Rot. Bonds4

About 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine

1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine (PubChem CID 141188146) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine
PubChem CID141188146
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine
SMILESCCc1cc2c(c(C)n1)c(-c1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C22H21N3/c1-3-19-14-20-21(16(2)23-19)22(18-12-8-5-9-13-18)24-25(20)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKeyPLYOOLIDPLKWHD-UHFFFAOYSA-N
XLogP5.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 25051486
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 14873184
3-[2-(ethoxymethyl)-4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-5-methylthiophene-2-sulfonic acid;N-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazol-3-amine
CID 172754972
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
CID 21334429
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
CID 171781819
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
1-benzyl-4-(1-chloro-2,2,2-trifluoroethyl)-3,5-dimethylpyrazole
CID 142754162
11-benzyl-7-butan-2-yl-13-methyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
CID 11589901
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986502

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine (CID 141188146) is 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine is CCc1cc2c(c(C)n1)c(-c1ccccc1)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine?
The InChIKey is PLYOOLIDPLKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-3-19-14-20-21(16(2)23-19)22(18-12-8-5-9-13-18)24-25(20)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3.
What are the key properties of 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine?
1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine has a molecular weight of 327.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 141188146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).