(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine

C14H10F3N3O — CID 136645088

IUPAC(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine
SMILESCn1nccc1/C(C#Cc1ccc(C(F)(F)F)cc1)=N\O
InChIInChI=1S/C14H10F3N3O/c1-20-13(8-9-18-20)12(19-21)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-3,5-6,8-9,21H,1H3/b19-12-
InChIKeyGKLBJLRWZKNLQS-UNOMPAQXSA-N
MW293.25 g/mol
LogP2.67
Rot. Bonds1

About (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine

(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine (PubChem CID 136645088) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine
PubChem CID136645088
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine
SMILESCn1nccc1/C(C#Cc1ccc(C(F)(F)F)cc1)=N\O
InChIInChI=1S/C14H10F3N3O/c1-20-13(8-9-18-20)12(19-21)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-3,5-6,8-9,21H,1H3/b19-12-
InChIKeyGKLBJLRWZKNLQS-UNOMPAQXSA-N
XLogP2.67
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.67
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine (CID 136645088) is (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine is Cn1nccc1/C(C#Cc1ccc(C(F)(F)F)cc1)=N\O.
What is the InChIKey of (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine?
The InChIKey is GKLBJLRWZKNLQS-UNOMPAQXSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-20-13(8-9-18-20)12(19-21)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-3,5-6,8-9,21H,1H3/b19-12-.
What are the key properties of (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine?
(NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine has a molecular weight of 293.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-ynylidene]hydroxylamine is sourced from PubChem (CID 136645088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).