2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

C24H22FN5O — CID 18674159

IUPAC2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H22FN5O/c1-30(2)20-9-3-16(4-10-20)15-21(31)27-24-22(17-11-13-26-14-12-17)23(28-29-24)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H2,27,28,29,31)
InChIKeyGDBJBOKOOYSPCQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (PubChem CID 18674159) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
PubChem CID18674159
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H22FN5O/c1-30(2)20-9-3-16(4-10-20)15-21(31)27-24-22(17-11-13-26-14-12-17)23(28-29-24)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H2,27,28,29,31)
InChIKeyGDBJBOKOOYSPCQ-UHFFFAOYSA-N
XLogP4.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (CID 18674159) is 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is CN(C)c1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The InChIKey is GDBJBOKOOYSPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-30(2)20-9-3-16(4-10-20)15-21(31)27-24-22(17-11-13-26-14-12-17)23(28-29-24)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H2,27,28,29,31).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 18674159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).