3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H22N4OS — CID 91830703

IUPAC3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCc1n[nH]c2c1CN(CCC(=O)NCc1cccs1)CC2
InChIInChI=1S/C16H22N4OS/c1-2-14-13-11-20(7-5-15(13)19-18-14)8-6-16(21)17-10-12-4-3-9-22-12/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyAHORMDGVLOAUEH-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.10
Rot. Bonds6

About 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91830703) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91830703
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCc1n[nH]c2c1CN(CCC(=O)NCc1cccs1)CC2
InChIInChI=1S/C16H22N4OS/c1-2-14-13-11-20(7-5-15(13)19-18-14)8-6-16(21)17-10-12-4-3-9-22-12/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyAHORMDGVLOAUEH-UHFFFAOYSA-N
XLogP2.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 91830703) is 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide is CCc1n[nH]c2c1CN(CCC(=O)NCc1cccs1)CC2.
What is the InChIKey of 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is AHORMDGVLOAUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-14-13-11-20(7-5-15(13)19-18-14)8-6-16(21)17-10-12-4-3-9-22-12/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 318.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91830703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).