1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide

C19H18N4O — CID 6483962

IUPAC1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(CCC#N)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O/c1-22(2)19(24)17-13-23(11-5-10-20)21-18(17)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,11H2,1-2H3
InChIKeyVNXNJTBLJYTWFZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide

1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide (PubChem CID 6483962) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide
PubChem CID6483962
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(CCC#N)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H18N4O/c1-22(2)19(24)17-13-23(11-5-10-20)21-18(17)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,11H2,1-2H3
InChIKeyVNXNJTBLJYTWFZ-UHFFFAOYSA-N
XLogP3.32
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide (CID 6483962) is 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide is CN(C)C(=O)c1cn(CCC#N)nc1-c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide?
The InChIKey is VNXNJTBLJYTWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(2)19(24)17-13-23(11-5-10-20)21-18(17)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,11H2,1-2H3.
What are the key properties of 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide?
1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-N,N-dimethyl-3-naphthalen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6483962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).