2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine

C18H19FN4 — CID 15888328

IUPAC2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c1-22(2)11-12-23-18(15-7-9-20-10-8-15)17(13-21-23)14-3-5-16(19)6-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMDFNACALOXKTDT-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.31
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine

2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 15888328) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID15888328
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c1-22(2)11-12-23-18(15-7-9-20-10-8-15)17(13-21-23)14-3-5-16(19)6-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMDFNACALOXKTDT-UHFFFAOYSA-N
XLogP3.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine (CID 15888328) is 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is MDFNACALOXKTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22(2)11-12-23-18(15-7-9-20-10-8-15)17(13-21-23)14-3-5-16(19)6-4-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 15888328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).