1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

C21H17FN4O — CID 16677390

IUPAC1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN4O/c1-25(13-15-4-2-6-20-19(15)5-3-11-23-20)21(27)16-12-24-26(14-16)18-9-7-17(22)8-10-18/h2-12,14H,13H2,1H3
InChIKeyKJIVRFLHRPOLGA-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 16677390) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID16677390
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN4O/c1-25(13-15-4-2-6-20-19(15)5-3-11-23-20)21(27)16-12-24-26(14-16)18-9-7-17(22)8-10-18/h2-12,14H,13H2,1H3
InChIKeyKJIVRFLHRPOLGA-UHFFFAOYSA-N
XLogP3.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (CID 16677390) is 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is CN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KJIVRFLHRPOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-25(13-15-4-2-6-20-19(15)5-3-11-23-20)21(27)16-12-24-26(14-16)18-9-7-17(22)8-10-18/h2-12,14H,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16677390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).