1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile

C18H10N6 — CID 58838850

IUPAC1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2cccn2)c2ccccc2c1-n1cccn1
InChIInChI=1S/C18H10N6/c19-11-15-16(12-20)18(24-10-4-8-22-24)14-6-2-1-5-13(14)17(15)23-9-3-7-21-23/h1-10H
InChIKeyQCLGEMJDOMDBTN-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.95
Rot. Bonds2

About 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile

1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile (PubChem CID 58838850) has the molecular formula C18H10N6 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile
PubChem CID58838850
Molecular FormulaC18H10N6
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2cccn2)c2ccccc2c1-n1cccn1
InChIInChI=1S/C18H10N6/c19-11-15-16(12-20)18(24-10-4-8-22-24)14-6-2-1-5-13(14)17(15)23-9-3-7-21-23/h1-10H
InChIKeyQCLGEMJDOMDBTN-UHFFFAOYSA-N
XLogP2.95
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile?
The IUPAC name of 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile (CID 58838850) is 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile?
The canonical SMILES for 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile is N#Cc1c(C#N)c(-n2cccn2)c2ccccc2c1-n1cccn1.
What is the InChIKey of 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile?
The InChIKey is QCLGEMJDOMDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6/c19-11-15-16(12-20)18(24-10-4-8-22-24)14-6-2-1-5-13(14)17(15)23-9-3-7-21-23/h1-10H.
What are the key properties of 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile?
1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile has a molecular weight of 310.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(pyrazol-1-yl)naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 58838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).