1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C24H27FN4O2 — CID 4984524

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H27FN4O2/c1-31-21-7-5-6-18(16-21)22-17-23(29(27-22)20-10-8-19(25)9-11-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16-17H,2-4,12-15H2,1H3,(H,26,30)
InChIKeyOQGFCLKVNFSUEY-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.90
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 4984524) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID4984524
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H27FN4O2/c1-31-21-7-5-6-18(16-21)22-17-23(29(27-22)20-10-8-19(25)9-11-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16-17H,2-4,12-15H2,1H3,(H,26,30)
InChIKeyOQGFCLKVNFSUEY-UHFFFAOYSA-N
XLogP3.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 3958388
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
N-cyclohexyl-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 4266674
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 4984524) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is OQGFCLKVNFSUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-31-21-7-5-6-18(16-21)22-17-23(29(27-22)20-10-8-19(25)9-11-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16-17H,2-4,12-15H2,1H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4984524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).