N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C16H17FN4O2 — CID 91914429

IUPACN-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C16H17FN4O2/c1-2-18-15(22)14-11-9-21(8-7-13(11)19-20-14)16(23)10-5-3-4-6-12(10)17/h3-6H,2,7-9H2,1H3,(H,18,22)(H,19,20)
InChIKeySAVJSUYTSWISOJ-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91914429) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91914429
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C16H17FN4O2/c1-2-18-15(22)14-11-9-21(8-7-13(11)19-20-14)16(23)10-5-3-4-6-12(10)17/h3-6H,2,7-9H2,1H3,(H,18,22)(H,19,20)
InChIKeySAVJSUYTSWISOJ-UHFFFAOYSA-N
XLogP1.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91914429) is N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SAVJSUYTSWISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-2-18-15(22)14-11-9-21(8-7-13(11)19-20-14)16(23)10-5-3-4-6-12(10)17/h3-6H,2,7-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-fluorobenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).