N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C16H16BrFN4O — CID 121443438

IUPACN-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1F)CC2
InChIInChI=1S/C16H16BrFN4O/c1-9(2)15-10-8-22(7-6-12(10)20-21-15)16(23)19-13-5-3-4-11(17)14(13)18/h3-5H,1,6-8H2,2H3,(H,19,23)(H,20,21)
InChIKeyJUIWKRXWAYSWPT-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.93
Rot. Bonds2

About N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443438) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121443438
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC NameN-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1F)CC2
InChIInChI=1S/C16H16BrFN4O/c1-9(2)15-10-8-22(7-6-12(10)20-21-15)16(23)19-13-5-3-4-11(17)14(13)18/h3-5H,1,6-8H2,2H3,(H,19,23)(H,20,21)
InChIKeyJUIWKRXWAYSWPT-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443438) is N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1F)CC2.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is JUIWKRXWAYSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-9(2)15-10-8-22(7-6-12(10)20-21-15)16(23)19-13-5-3-4-11(17)14(13)18/h3-5H,1,6-8H2,2H3,(H,19,23)(H,20,21).
What are the key properties of N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 379.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).