3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide

C24H21FN4O2 — CID 24821773

IUPAC3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H21FN4O2/c1-29(15-16-3-9-20(31-2)10-4-16)24(30)23-21(17-11-13-26-14-12-17)22(27-28-23)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyTXIYAKBXEHSUBO-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.56
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 24821773) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID24821773
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H21FN4O2/c1-29(15-16-3-9-20(31-2)10-4-16)24(30)23-21(17-11-13-26-14-12-17)22(27-28-23)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyTXIYAKBXEHSUBO-UHFFFAOYSA-N
XLogP4.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 24821773) is 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is TXIYAKBXEHSUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29(15-16-3-9-20(31-2)10-4-16)24(30)23-21(17-11-13-26-14-12-17)22(27-28-23)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24821773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).