N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C18H16FN7O — CID 44824810

IUPACN-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCn1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)cc1C
InChIInChI=1S/C18H16FN7O/c1-3-25-11(2)8-16(24-25)23-17(27)15-9-14(12-4-6-13(19)7-5-12)22-18-20-10-21-26(15)18/h4-10H,3H2,1-2H3,(H,23,24,27)
InChIKeyKFVOEDSUMSCCGR-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.71
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 44824810) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID44824810
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC NameN-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCn1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)cc1C
InChIInChI=1S/C18H16FN7O/c1-3-25-11(2)8-16(24-25)23-17(27)15-9-14(12-4-6-13(19)7-5-12)22-18-20-10-21-26(15)18/h4-10H,3H2,1-2H3,(H,23,24,27)
InChIKeyKFVOEDSUMSCCGR-UHFFFAOYSA-N
XLogP2.71
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 44824810) is N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CCn1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)cc1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KFVOEDSUMSCCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-3-25-11(2)8-16(24-25)23-17(27)15-9-14(12-4-6-13(19)7-5-12)22-18-20-10-21-26(15)18/h4-10H,3H2,1-2H3,(H,23,24,27).
What are the key properties of N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44824810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).