1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole

C21H19N5O — CID 91896041

IUPAC1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole
SMILESCn1cc(-c2ccc3c(c2)CCC3N=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/h3,5-6,8-12,19H,4,7H2,1-2H3
InChIKeyDXWKANKMOAIVKQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.39
Rot. Bonds3

About 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole

1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole (PubChem CID 91896041) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole.

Molecular Properties

Compound Name1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole
PubChem CID91896041
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole
SMILESCn1cc(-c2ccc3c(c2)CCC3N=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/h3,5-6,8-12,19H,4,7H2,1-2H3
InChIKeyDXWKANKMOAIVKQ-UHFFFAOYSA-N
XLogP4.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole?
The IUPAC name of 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole (CID 91896041) is 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole.
What is the SMILES notation for 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole?
The canonical SMILES for 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole is Cn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccc3c(cnn3C)c2)n1.
What is the InChIKey of 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole?
The InChIKey is DXWKANKMOAIVKQ-UHFFFAOYSA-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/h3,5-6,8-12,19H,4,7H2,1-2H3.
What are the key properties of 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole?
1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole has a molecular weight of 357.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]indazole is sourced from PubChem (CID 91896041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).