N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide

C17H18ClF3N4O — CID 66874721

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)c2c1CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF3N4O/c1-10(11-2-4-12(18)5-3-11)23-15(26)9-25-14-8-22-7-6-13(14)16(24-25)17(19,20)21/h2-5,10,22H,6-9H2,1H3,(H,23,26)
InChIKeyUSOIPBPPDGYVEK-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide

N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide (PubChem CID 66874721) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide
PubChem CID66874721
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)c2c1CNCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF3N4O/c1-10(11-2-4-12(18)5-3-11)23-15(26)9-25-14-8-22-7-6-13(14)16(24-25)17(19,20)21/h2-5,10,22H,6-9H2,1H3,(H,23,26)
InChIKeyUSOIPBPPDGYVEK-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide (CID 66874721) is N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide is CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CNCC2)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide?
The InChIKey is USOIPBPPDGYVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c1-10(11-2-4-12(18)5-3-11)23-15(26)9-25-14-8-22-7-6-13(14)16(24-25)17(19,20)21/h2-5,10,22H,6-9H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide has a molecular weight of 386.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 66874721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).