N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine

C7H8F3N3O — CID 170909502

IUPACN-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-5(12-14)6-2-3-13(11-6)4-7(8,9)10/h2-3,14H,4H2,1H3
InChIKeyXUGHQCPNHUWPRB-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.64
Rot. Bonds2

About N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine

N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine (PubChem CID 170909502) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine
PubChem CID170909502
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-5(12-14)6-2-3-13(11-6)4-7(8,9)10/h2-3,14H,4H2,1H3
InChIKeyXUGHQCPNHUWPRB-UHFFFAOYSA-N
XLogP1.64
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propan-1-one
CID 118673377
sodium 1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 140578642
1-[1-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 123550160
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 132770062
2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
CID 50896678
trimethyl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethynyl]silane
CID 132586199
3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 25248681
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
1-(2,2,3,3,4,4,4-heptafluorobutyl)pyrazole-3-carboxylic acid
CID 97178842
1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide
CID 136959632
2-methyl-2-[[4-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]triazol-1-yl]methyl]propane-1,3-diol
CID 166350012
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 120873325

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine (CID 170909502) is N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine is CC(=NO)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine?
The InChIKey is XUGHQCPNHUWPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-5(12-14)6-2-3-13(11-6)4-7(8,9)10/h2-3,14H,4H2,1H3.
What are the key properties of N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine?
N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine has a molecular weight of 207.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 170909502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).