N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide

C10H13F3N4O — CID 77071183

IUPACN'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(Cn2ccc(C(F)(F)F)n2)CC1)=NO
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-1-4-17(15-7)6-9(2-3-9)5-8(14)16-18/h1,4,18H,2-3,5-6H2,(H2,14,16)
InChIKeyKVWAKCYXDHTVHY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.82
Rot. Bonds4

About N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071183) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID77071183
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(Cn2ccc(C(F)(F)F)n2)CC1)=NO
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-1-4-17(15-7)6-9(2-3-9)5-8(14)16-18/h1,4,18H,2-3,5-6H2,(H2,14,16)
InChIKeyKVWAKCYXDHTVHY-UHFFFAOYSA-N
XLogP1.82
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.82
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-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide (CID 77071183) is N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide is NC(CC1(Cn2ccc(C(F)(F)F)n2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is KVWAKCYXDHTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-1-4-17(15-7)6-9(2-3-9)5-8(14)16-18/h1,4,18H,2-3,5-6H2,(H2,14,16).
What are the key properties of N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 262.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).