5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide

C18H17FN4O — CID 71580122

IUPAC5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C18H17FN4O/c1-11-8-9-20-15(10-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyZKBYMWFMQLKNTC-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.49
Rot. Bonds3

About 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71580122) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID71580122
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C18H17FN4O/c1-11-8-9-20-15(10-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24)
InChIKeyZKBYMWFMQLKNTC-UHFFFAOYSA-N
XLogP3.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.49
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-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 71580122) is 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1ccnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)c1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is ZKBYMWFMQLKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-8-9-20-15(10-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.49, 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-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71580122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).