(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C16H21N3OS — CID 75418089

IUPAC(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCCc1sc(C(=O)N2CCc3[nH]ncc3C2)cc1CC
InChIInChI=1S/C16H21N3OS/c1-3-5-14-11(4-2)8-15(21-14)16(20)19-7-6-13-12(10-19)9-17-18-13/h8-9H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyIQOVRFNAFBXHIB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.18
Rot. Bonds4

About (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 75418089) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID75418089
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCCc1sc(C(=O)N2CCc3[nH]ncc3C2)cc1CC
InChIInChI=1S/C16H21N3OS/c1-3-5-14-11(4-2)8-15(21-14)16(20)19-7-6-13-12(10-19)9-17-18-13/h8-9H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyIQOVRFNAFBXHIB-UHFFFAOYSA-N
XLogP3.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 75418089) is (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is CCCc1sc(C(=O)N2CCc3[nH]ncc3C2)cc1CC.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IQOVRFNAFBXHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-5-14-11(4-2)8-15(21-14)16(20)19-7-6-13-12(10-19)9-17-18-13/h8-9H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 75418089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).