(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

C15H13N3O2 — CID 5337245

IUPAC(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)o1
InChIInChI=1S/C15H13N3O2/c1-11-7-8-14(20-11)15-12(9-16-19)10-18(17-15)13-5-3-2-4-6-13/h2-10,19H,1H3/b16-9+
InChIKeyLBTYFPIBXZXWOW-CXUHLZMHSA-N
MW267.29 g/mol
LogP3.25
Rot. Bonds3

About (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (PubChem CID 5337245) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
PubChem CID5337245
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)o1
InChIInChI=1S/C15H13N3O2/c1-11-7-8-14(20-11)15-12(9-16-19)10-18(17-15)13-5-3-2-4-6-13/h2-10,19H,1H3/b16-9+
InChIKeyLBTYFPIBXZXWOW-CXUHLZMHSA-N
XLogP3.25
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423892
5-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1351608
N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126395714
(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 36842749
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,4-dinitroaniline
CID 3601951
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 171150923
(5Z)-5-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2218123
N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 740208
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-(1,4-thiazepan-4-yl)prop-2-en-1-one
CID 71886308

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (CID 5337245) is (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)o1.
What is the InChIKey of (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The InChIKey is LBTYFPIBXZXWOW-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-7-8-14(20-11)15-12(9-16-19)10-18(17-15)13-5-3-2-4-6-13/h2-10,19H,1H3/b16-9+.
What are the key properties of (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine has a molecular weight of 267.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 5337245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).