5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

C17H16N4 — CID 24747155

IUPAC5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C17H16N4/c1-2-21-17(19)15(11-18)16(20-21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10,19H2,1H3
InChIKeyZXWQBDHNGBQQKA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.10
Rot. Bonds3

About 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 24747155) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
PubChem CID24747155
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C17H16N4/c1-2-21-17(19)15(11-18)16(20-21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10,19H2,1H3
InChIKeyZXWQBDHNGBQQKA-UHFFFAOYSA-N
XLogP3.10
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (CID 24747155) is 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is CCn1nc(Cc2cccc3ccccc23)c(C#N)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is ZXWQBDHNGBQQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-21-17(19)15(11-18)16(20-21)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10,19H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 24747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).