(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C21H19N5O — CID 44587236

IUPAC(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C21H19N5O/c1-25-12-18(14-3-6-17-13(9-14)4-7-19(17)24-27)21(23-25)15-5-8-20-16(10-15)11-22-26(20)2/h3,5-6,8-12,27H,4,7H2,1-2H3/b24-19+
InChIKeyNENZYDCQHVOYQA-LYBHJNIJSA-N
MW357.42 g/mol
LogP3.77
Rot. Bonds2

About (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 44587236) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID44587236
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C21H19N5O/c1-25-12-18(14-3-6-17-13(9-14)4-7-19(17)24-27)21(23-25)15-5-8-20-16(10-15)11-22-26(20)2/h3,5-6,8-12,27H,4,7H2,1-2H3/b24-19+
InChIKeyNENZYDCQHVOYQA-LYBHJNIJSA-N
XLogP3.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 44587236) is (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccc3c(cnn3C)c2)n1.
What is the InChIKey of (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is NENZYDCQHVOYQA-LYBHJNIJSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25-12-18(14-3-6-17-13(9-14)4-7-19(17)24-27)21(23-25)15-5-8-20-16(10-15)11-22-26(20)2/h3,5-6,8-12,27H,4,7H2,1-2H3/b24-19+.
What are the key properties of (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 357.42 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 44587236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).