1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea

C17H17FN4O — CID 69059586

IUPAC1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C17H17FN4O/c1-2-8-19-17(23)20-16-14-7-6-12(10-15(14)21-22-16)11-4-3-5-13(18)9-11/h3-7,9-10H,2,8H2,1H3,(H3,19,20,21,22,23)
InChIKeyOLLXKJUDLXMVKM-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.90
Rot. Bonds4

About 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea

1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea (PubChem CID 69059586) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea
PubChem CID69059586
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12
InChIInChI=1S/C17H17FN4O/c1-2-8-19-17(23)20-16-14-7-6-12(10-15(14)21-22-16)11-4-3-5-13(18)9-11/h3-7,9-10H,2,8H2,1H3,(H3,19,20,21,22,23)
InChIKeyOLLXKJUDLXMVKM-UHFFFAOYSA-N
XLogP3.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea?
The IUPAC name of 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea (CID 69059586) is 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea.
What is the SMILES notation for 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea?
The canonical SMILES for 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea is CCCNC(=O)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12.
What is the InChIKey of 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea?
The InChIKey is OLLXKJUDLXMVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-8-19-17(23)20-16-14-7-6-12(10-15(14)21-22-16)11-4-3-5-13(18)9-11/h3-7,9-10H,2,8H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea?
1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea has a molecular weight of 312.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)-1H-indazol-3-yl]-3-propylurea is sourced from PubChem (CID 69059586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).