5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H17N3S — CID 18138096

IUPAC5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(-n2cc(CN3CCc4sccc4C3)cn2)cc1
InChIInChI=1S/C17H17N3S/c1-2-4-16(5-3-1)20-12-14(10-18-20)11-19-8-6-17-15(13-19)7-9-21-17/h1-5,7,9-10,12H,6,8,11,13H2
InChIKeyZIWHOZZCEOGXAS-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.49
Rot. Bonds3

About 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 18138096) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID18138096
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(-n2cc(CN3CCc4sccc4C3)cn2)cc1
InChIInChI=1S/C17H17N3S/c1-2-4-16(5-3-1)20-12-14(10-18-20)11-19-8-6-17-15(13-19)7-9-21-17/h1-5,7,9-10,12H,6,8,11,13H2
InChIKeyZIWHOZZCEOGXAS-UHFFFAOYSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-[(1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912229
3-phenyl-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25372194
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115
6-[(1-phenylpyrazol-4-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912230
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 18138096) is 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ccc(-n2cc(CN3CCc4sccc4C3)cn2)cc1.
What is the InChIKey of 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZIWHOZZCEOGXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-4-16(5-3-1)20-12-14(10-18-20)11-19-8-6-17-15(13-19)7-9-21-17/h1-5,7,9-10,12H,6,8,11,13H2.
What are the key properties of 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 295.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 18138096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).