N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine

C12H18F3N3O — CID 156721977

IUPACN-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine
SMILESCC(C1CCC(C(F)(F)F)CC1)n1cc(NO)cn1
InChIInChI=1S/C12H18F3N3O/c1-8(18-7-11(17-19)6-16-18)9-2-4-10(5-3-9)12(13,14)15/h6-10,17,19H,2-5H2,1H3
InChIKeyGUSLBDHQEXKEDP-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.61
Rot. Bonds3

About N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine

N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine (PubChem CID 156721977) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine
PubChem CID156721977
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine
SMILESCC(C1CCC(C(F)(F)F)CC1)n1cc(NO)cn1
InChIInChI=1S/C12H18F3N3O/c1-8(18-7-11(17-19)6-16-18)9-2-4-10(5-3-9)12(13,14)15/h6-10,17,19H,2-5H2,1H3
InChIKeyGUSLBDHQEXKEDP-UHFFFAOYSA-N
XLogP3.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine?
The IUPAC name of N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine (CID 156721977) is N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine.
What is the SMILES notation for N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine?
The canonical SMILES for N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine is CC(C1CCC(C(F)(F)F)CC1)n1cc(NO)cn1.
What is the InChIKey of N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine?
The InChIKey is GUSLBDHQEXKEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8(18-7-11(17-19)6-16-18)9-2-4-10(5-3-9)12(13,14)15/h6-10,17,19H,2-5H2,1H3.
What are the key properties of N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine?
N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine has a molecular weight of 277.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-yl]hydroxylamine is sourced from PubChem (CID 156721977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).