3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine

C16H17N3 — CID 163564236

IUPAC3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1cnc2c(c1)c(C)nn2Cc1ccccc1C
InChIInChI=1S/C16H17N3/c1-11-8-15-13(3)18-19(16(15)17-9-11)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3
InChIKeyFTVDRDQZURGSAP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.40
Rot. Bonds2

About 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine

3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 163564236) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID163564236
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1cnc2c(c1)c(C)nn2Cc1ccccc1C
InChIInChI=1S/C16H17N3/c1-11-8-15-13(3)18-19(16(15)17-9-11)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3
InChIKeyFTVDRDQZURGSAP-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
CID 66014891
2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
CID 137444663
1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
CID 130348871
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 17025558
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
5-chloro-3-methyl-1-[(2-methylphenyl)methyl]-4-nitropyrazole
CID 66014694

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (CID 163564236) is 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is Cc1cnc2c(c1)c(C)nn2Cc1ccccc1C.
What is the InChIKey of 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is FTVDRDQZURGSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-8-15-13(3)18-19(16(15)17-9-11)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 163564236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).