5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

C17H15FN4O — CID 71580231

IUPAC5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-11-15(17(23)20-14-7-9-19-10-8-14)21-22(2)16(11)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20,23)
InChIKeyZAJNXWBAJTVQLV-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.18
Rot. Bonds3

About 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide

5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 71580231) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID71580231
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-11-15(17(23)20-14-7-9-19-10-8-14)21-22(2)16(11)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20,23)
InChIKeyZAJNXWBAJTVQLV-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide (CID 71580231) is 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccncc2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is ZAJNXWBAJTVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-15(17(23)20-14-7-9-19-10-8-14)21-22(2)16(11)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20,23).
What are the key properties of 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71580231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).