2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine

C19H19N5O — CID 91896031

IUPAC2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C19H19N5O/c20-7-10-24-12-17(19(22-24)13-5-8-21-9-6-13)15-1-3-16-14(11-15)2-4-18(16)23-25/h1,3,5-6,8-9,11-12,18H,2,4,7,10,20H2
InChIKeyFJZWVBAFEWPCOV-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine

2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine (PubChem CID 91896031) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine
PubChem CID91896031
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C19H19N5O/c20-7-10-24-12-17(19(22-24)13-5-8-21-9-6-13)15-1-3-16-14(11-15)2-4-18(16)23-25/h1,3,5-6,8-9,11-12,18H,2,4,7,10,20H2
InChIKeyFJZWVBAFEWPCOV-UHFFFAOYSA-N
XLogP3.32
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine (CID 91896031) is 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine is NCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1.
What is the InChIKey of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine?
The InChIKey is FJZWVBAFEWPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-7-10-24-12-17(19(22-24)13-5-8-21-9-6-13)15-1-3-16-14(11-15)2-4-18(16)23-25/h1,3,5-6,8-9,11-12,18H,2,4,7,10,20H2.
What are the key properties of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine?
2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine has a molecular weight of 333.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 91896031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).