1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide

C18H17FN4O — CID 155600343

IUPAC1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCc1cc(Cc2cccc(F)c2)cnc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C18H17FN4O/c1-2-14-9-13(8-12-4-3-5-15(19)10-12)11-21-18(14)23-7-6-16(22-23)17(20)24/h3-7,9-11H,2,8H2,1H3,(H2,20,24)
InChIKeyTUPAXCYKLLQFQY-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide

1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 155600343) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID155600343
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide
SMILESCCc1cc(Cc2cccc(F)c2)cnc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C18H17FN4O/c1-2-14-9-13(8-12-4-3-5-15(19)10-12)11-21-18(14)23-7-6-16(22-23)17(20)24/h3-7,9-11H,2,8H2,1H3,(H2,20,24)
InChIKeyTUPAXCYKLLQFQY-UHFFFAOYSA-N
XLogP2.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide (CID 155600343) is 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide is CCc1cc(Cc2cccc(F)c2)cnc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is TUPAXCYKLLQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-2-14-9-13(8-12-4-3-5-15(19)10-12)11-21-18(14)23-7-6-16(22-23)17(20)24/h3-7,9-11H,2,8H2,1H3,(H2,20,24).
What are the key properties of 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide?
1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155600343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).