4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

C16H18FN5O2 — CID 164784442

IUPAC4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(C#N)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C16H18FN5O2/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3/h5-6,8H,4,19H2,1-3H3,(H2,20,23)
InChIKeyYIYWEGGHMUYZCN-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.09
Rot. Bonds5

About 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 164784442) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID164784442
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(C#N)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C16H18FN5O2/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3/h5-6,8H,4,19H2,1-3H3,(H2,20,23)
InChIKeyYIYWEGGHMUYZCN-UHFFFAOYSA-N
XLogP2.09
TPSA119.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 164784442) is 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is CCOc1cc(C#N)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is YIYWEGGHMUYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3/h5-6,8H,4,19H2,1-3H3,(H2,20,23).
What are the key properties of 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-cyano-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164784442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).