3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C23H19FN4O2 — CID 3940824

IUPAC3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-20-8-6-19(7-9-20)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)17-2-4-18(24)5-3-17/h2-14H,15H2,1H3,(H,26,29)
InChIKeyIVBBFIMBSFQMAM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.01
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 3940824) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID3940824
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-20-8-6-19(7-9-20)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)17-2-4-18(24)5-3-17/h2-14H,15H2,1H3,(H,26,29)
InChIKeyIVBBFIMBSFQMAM-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 44763333
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
3-(3-methoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3589101
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 3940824) is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is IVBBFIMBSFQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-30-20-8-6-19(7-9-20)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)17-2-4-18(24)5-3-17/h2-14H,15H2,1H3,(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3940824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).