2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C14H17N3 — CID 98009854

IUPAC2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1c2c(nn1Cc1ccccc1)CNCC2
InChIInChI=1S/C14H17N3/c1-11-13-7-8-15-9-14(13)16-17(11)10-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
InChIKeyYLNFNNQEQYKORQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.89
Rot. Bonds2

About 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 98009854) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID98009854
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1c2c(nn1Cc1ccccc1)CNCC2
InChIInChI=1S/C14H17N3/c1-11-13-7-8-15-9-14(13)16-17(11)10-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
InChIKeyYLNFNNQEQYKORQ-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672
1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561357
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130214355
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
9-benzyl-5-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 91006614
3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 112710554
2-benzyl-3-chloro-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
CID 146047936
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 130203009
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586468
3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86690271

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 98009854) is 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1c2c(nn1Cc1ccccc1)CNCC2.
What is the InChIKey of 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is YLNFNNQEQYKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-13-7-8-15-9-14(13)16-17(11)10-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3.
What are the key properties of 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 227.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 98009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).