(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine

C17H18N4O2 — CID 56673878

IUPAC(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCC=N3)cn2)c1
InChIInChI=1S/C17H18N4O2/c1-12-8-13(2)10-15(9-12)23-16-5-4-14(11-18-16)17(20-22)21-7-3-6-19-21/h4-6,8-11,22H,3,7H2,1-2H3/b20-17-
InChIKeyGRNCOYCKBQVNDA-JZJYNLBNSA-N
MW310.36 g/mol
LogP3.32
Rot. Bonds3

About (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56673878) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56673878
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCC=N3)cn2)c1
InChIInChI=1S/C17H18N4O2/c1-12-8-13(2)10-15(9-12)23-16-5-4-14(11-18-16)17(20-22)21-7-3-6-19-21/h4-6,8-11,22H,3,7H2,1-2H3/b20-17-
InChIKeyGRNCOYCKBQVNDA-JZJYNLBNSA-N
XLogP3.32
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56673878) is (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine is Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCC=N3)cn2)c1.
What is the InChIKey of (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is GRNCOYCKBQVNDA-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-8-13(2)10-15(9-12)23-16-5-4-14(11-18-16)17(20-22)21-7-3-6-19-21/h4-6,8-11,22H,3,7H2,1-2H3/b20-17-.
What are the key properties of (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 310.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3,4-dihydropyrazol-2-yl-[6-(3,5-dimethylphenoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56673878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).