3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide

C17H21FN4O3 — CID 136556758

IUPAC3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(N)=O)c1NC(=O)CCc1cccc(OC)c1F
InChIInChI=1S/C17H21FN4O3/c1-4-11-15(16(17(19)24)22(2)21-11)20-13(23)9-8-10-6-5-7-12(25-3)14(10)18/h5-7H,4,8-9H2,1-3H3,(H2,19,24)(H,20,23)
InChIKeyQTEFZHGLGLKMBJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.80
Rot. Bonds7

About 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide

3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 136556758) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID136556758
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(N)=O)c1NC(=O)CCc1cccc(OC)c1F
InChIInChI=1S/C17H21FN4O3/c1-4-11-15(16(17(19)24)22(2)21-11)20-13(23)9-8-10-6-5-7-12(25-3)14(10)18/h5-7H,4,8-9H2,1-3H3,(H2,19,24)(H,20,23)
InChIKeyQTEFZHGLGLKMBJ-UHFFFAOYSA-N
XLogP1.80
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide (CID 136556758) is 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(N)=O)c1NC(=O)CCc1cccc(OC)c1F.
What is the InChIKey of 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is QTEFZHGLGLKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-4-11-15(16(17(19)24)22(2)21-11)20-13(23)9-8-10-6-5-7-12(25-3)14(10)18/h5-7H,4,8-9H2,1-3H3,(H2,19,24)(H,20,23).
What are the key properties of 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide?
3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(2-fluoro-3-methoxyphenyl)propanoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 136556758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).