1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone

C18H17N3OS — CID 53185459

IUPAC1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C18H17N3OS/c22-17(11-14-7-4-10-23-14)21-9-8-16-15(12-21)18(20-19-16)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyCJASLNNSCBZPIX-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.27
Rot. Bonds3

About 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone

1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone (PubChem CID 53185459) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone
PubChem CID53185459
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C18H17N3OS/c22-17(11-14-7-4-10-23-14)21-9-8-16-15(12-21)18(20-19-16)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyCJASLNNSCBZPIX-UHFFFAOYSA-N
XLogP3.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone (CID 53185459) is 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
The InChIKey is CJASLNNSCBZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(11-14-7-4-10-23-14)21-9-8-16-15(12-21)18(20-19-16)13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,20).
What are the key properties of 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone?
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone has a molecular weight of 323.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 53185459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).