2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide

C20H17F3N4O — CID 71493280

IUPAC2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1C1=CCCC1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)14-8-15(12-5-6-17-13(7-12)10-25-26-17)18(11-3-1-2-4-11)16(9-14)19(24)27-28/h3,5-10,28H,1-2,4H2,(H2,24,27)(H,25,26)
InChIKeyUGPWJIPBXMJNGG-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.91
Rot. Bonds3

About 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide

2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 71493280) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID71493280
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1C1=CCCC1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)14-8-15(12-5-6-17-13(7-12)10-25-26-17)18(11-3-1-2-4-11)16(9-14)19(24)27-28/h3,5-10,28H,1-2,4H2,(H2,24,27)(H,25,26)
InChIKeyUGPWJIPBXMJNGG-UHFFFAOYSA-N
XLogP4.91
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide (CID 71493280) is 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1C1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is UGPWJIPBXMJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)14-8-15(12-5-6-17-13(7-12)10-25-26-17)18(11-3-1-2-4-11)16(9-14)19(24)27-28/h3,5-10,28H,1-2,4H2,(H2,24,27)(H,25,26).
What are the key properties of 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 386.38 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 71493280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).