4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine

C16H23F3N4O — CID 166903849

IUPAC4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine
SMILESCn1nccc1/C(=N\OCC1CC1C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C16H23F3N4O/c1-23-14(6-7-21-23)15(10-2-4-12(20)5-3-10)22-24-9-11-8-13(11)16(17,18)19/h6-7,10-13H,2-5,8-9,20H2,1H3/b22-15-
InChIKeyDTDFXGNRQXGFBI-JCMHNJIXSA-N
MW344.38 g/mol
LogP2.86
Rot. Bonds5

About 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine

4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine (PubChem CID 166903849) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine
PubChem CID166903849
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine
SMILESCn1nccc1/C(=N\OCC1CC1C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C16H23F3N4O/c1-23-14(6-7-21-23)15(10-2-4-12(20)5-3-10)22-24-9-11-8-13(11)16(17,18)19/h6-7,10-13H,2-5,8-9,20H2,1H3/b22-15-
InChIKeyDTDFXGNRQXGFBI-JCMHNJIXSA-N
XLogP2.86
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine (CID 166903849) is 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine is Cn1nccc1/C(=N\OCC1CC1C(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine?
The InChIKey is DTDFXGNRQXGFBI-JCMHNJIXSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-23-14(6-7-21-23)15(10-2-4-12(20)5-3-10)22-24-9-11-8-13(11)16(17,18)19/h6-7,10-13H,2-5,8-9,20H2,1H3/b22-15-.
What are the key properties of 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine?
4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine has a molecular weight of 344.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine is sourced from PubChem (CID 166903849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).