N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide

C10H13F3N4O — CID 19614726

IUPACN'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide
SMILESN/C(CCn1nc2c(c1C(F)(F)F)CCC2)=N/O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-6-2-1-3-7(6)15-17(9)5-4-8(14)16-18/h18H,1-5H2,(H2,14,16)
InChIKeyOEPPSHKZTKKGNQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.53
Rot. Bonds3

About N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide

N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide (PubChem CID 19614726) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide
PubChem CID19614726
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide
SMILESN/C(CCn1nc2c(c1C(F)(F)F)CCC2)=N/O
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-6-2-1-3-7(6)15-17(9)5-4-8(14)16-18/h18H,1-5H2,(H2,14,16)
InChIKeyOEPPSHKZTKKGNQ-UHFFFAOYSA-N
XLogP1.53
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide (CID 19614726) is N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide is N/C(CCn1nc2c(c1C(F)(F)F)CCC2)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide?
The InChIKey is OEPPSHKZTKKGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9-6-2-1-3-7(6)15-17(9)5-4-8(14)16-18/h18H,1-5H2,(H2,14,16).
What are the key properties of N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide?
N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide has a molecular weight of 262.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide is sourced from PubChem (CID 19614726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).