5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

C15H18FN3O2 — CID 46105033

IUPAC5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)nn2C)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-9(2)17-15(20)13-8-14(19(3)18-13)11-6-5-10(21-4)7-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyUVUUGQGFKFGBIH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.37
Rot. Bonds4

About 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 46105033) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID46105033
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)nn2C)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-9(2)17-15(20)13-8-14(19(3)18-13)11-6-5-10(21-4)7-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyUVUUGQGFKFGBIH-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 46105033) is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)nn2C)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is UVUUGQGFKFGBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(2)17-15(20)13-8-14(19(3)18-13)11-6-5-10(21-4)7-12(11)16/h5-9H,1-4H3,(H,17,20).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46105033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).