4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide

C15H19FN4O — CID 66122905

IUPAC4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-4-20-14(13(17)10(2)18-20)15(21)19(3)9-11-5-7-12(16)8-6-11/h5-8H,4,9,17H2,1-3H3
InChIKeyJQGXFEUBAXBWRJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.20
Rot. Bonds4

About 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide

4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide (PubChem CID 66122905) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
PubChem CID66122905
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-4-20-14(13(17)10(2)18-20)15(21)19(3)9-11-5-7-12(16)8-6-11/h5-8H,4,9,17H2,1-3H3
InChIKeyJQGXFEUBAXBWRJ-UHFFFAOYSA-N
XLogP2.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide (CID 66122905) is 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide?
The InChIKey is JQGXFEUBAXBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-20-14(13(17)10(2)18-20)15(21)19(3)9-11-5-7-12(16)8-6-11/h5-8H,4,9,17H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).