4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

C15H19FN4O — CID 165044159

IUPAC4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21)
InChIKeyJMZXBJWLHVXBKF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 165044159) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID165044159
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C15H19FN4O/c1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21)
InChIKeyJMZXBJWLHVXBKF-UHFFFAOYSA-N
XLogP2.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 165044159) is 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1.
What is the InChIKey of 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JMZXBJWLHVXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3/h5-8H,4,17H2,1-3H3,(H2,18,21).
What are the key properties of 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 165044159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).