3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C13H15N3S — CID 57140925

IUPAC3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCSc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyLVORPPHWUHBLMM-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.44
Rot. Bonds2

About 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 57140925) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID57140925
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCSc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyLVORPPHWUHBLMM-UHFFFAOYSA-N
XLogP2.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540362
3-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82301056
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106850684
2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28814954
3-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82588751
2-nitro-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136822369
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
5-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,3-oxazole
CID 130950606
3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537326
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537634

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 57140925) is 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CSc1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is LVORPPHWUHBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 245.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 57140925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).