(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone

C17H15N3OS — CID 42513893

IUPAC(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C17H15N3OS/c21-17(13-7-9-22-11-13)20-8-6-15-14(10-20)16(19-18-15)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,18,19)
InChIKeyCRHAPQLRSDQXEI-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.34
Rot. Bonds2

About (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone

(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone (PubChem CID 42513893) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone
PubChem CID42513893
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C17H15N3OS/c21-17(13-7-9-22-11-13)20-8-6-15-14(10-20)16(19-18-15)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,18,19)
InChIKeyCRHAPQLRSDQXEI-UHFFFAOYSA-N
XLogP3.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 42197666
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
(3-morpholin-4-ylphenyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 31074876
3-phenyl-N-(1,2-thiazol-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442719
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone (CID 42513893) is (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The InChIKey is CRHAPQLRSDQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(13-7-9-22-11-13)20-8-6-15-14(10-20)16(19-18-15)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,18,19).
What are the key properties of (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone?
(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 42513893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).