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

C19H18N4O — CID 91896021

IUPAC4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine
SMILESCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C19H18N4O/c1-2-23-12-17(19(21-23)13-7-9-20-10-8-13)15-3-5-16-14(11-15)4-6-18(16)22-24/h3,5,7-12,18H,2,4,6H2,1H3
InChIKeyRHZAYSYBOMRKAJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.39
Rot. Bonds4

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

4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine (PubChem CID 91896021) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine
PubChem CID91896021
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine
SMILESCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C19H18N4O/c1-2-23-12-17(19(21-23)13-7-9-20-10-8-13)15-3-5-16-14(11-15)4-6-18(16)22-24/h3,5,7-12,18H,2,4,6H2,1H3
InChIKeyRHZAYSYBOMRKAJ-UHFFFAOYSA-N
XLogP4.39
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine (CID 91896021) is 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine is CCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1.
What is the InChIKey of 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine?
The InChIKey is RHZAYSYBOMRKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-23-12-17(19(21-23)13-7-9-20-10-8-13)15-3-5-16-14(11-15)4-6-18(16)22-24/h3,5,7-12,18H,2,4,6H2,1H3.
What are the key properties of 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine?
4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine has a molecular weight of 318.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 91896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).